PubChemLite - 2-(((9h-fluoren-9-yl)methoxy)carbonyl)-8-(tert-butoxycarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (C29H34N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C29H34N2O6/c1-28(2,3)37-26(34)30-14-12-29(13-15-30)16-24(25(32)33)31(18-29)27(35)36-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,23-24H,12-18H2,1-3H3,(H,32,33)

InChIKey

URRGFGKYPWMHCY-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonyl)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	507.24898	224.1
[M+Na]+	529.23092	226.4
[M-H]-	505.23442	229.6
[M+NH4]+	524.27552	234.2
[M+K]+	545.20486	223.0
[M+H-H2O]+	489.23896	216.1
[M+HCOO]-	551.23990	230.9
[M+CH3COO]-	565.25555	237.3
[M+Na-2H]-	527.21637	219.6
[M]+	506.24115	223.2
[M]-	506.24225	223.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.24898

224.1

[M+Na]+

529.23092

226.4

[M-H]-

505.23442

229.6

[M+NH4]+

524.27552

234.2

[M+K]+

545.20486

223.0

[M+H-H2O]+

489.23896

216.1

[M+HCOO]-

551.23990

230.9

[M+CH3COO]-

565.25555

237.3

[M+Na-2H]-

527.21637

219.6

[M]+

506.24115

223.2

[M]-

506.24225

223.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-(((9h-fluoren-9-yl)methoxy)carbonyl)-8-(tert-butoxycarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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