PubChemLite - 2-(8-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid (C30H29N3O5)

Structural Information

Molecular Formula

SMILES

C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C30H29N3O5/c34-27(35)18-32-20-33(21-8-2-1-3-9-21)30(28(32)36)14-16-31(17-15-30)29(37)38-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,26H,14-20H2,(H,34,35)

InChIKey

ZSJFVKWLUVYERT-UHFFFAOYSA-N

Compound name

2-[8-(9H-fluoren-9-ylmethoxycarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic 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]+	512.21800	223.2
[M+Na]+	534.19994	226.9
[M-H]-	510.20344	230.8
[M+NH4]+	529.24454	230.9
[M+K]+	550.17388	220.7
[M+H-H2O]+	494.20798	211.4
[M+HCOO]-	556.20892	231.8
[M+CH3COO]-	570.22457	228.3
[M+Na-2H]-	532.18539	217.9
[M]+	511.21017	220.4
[M]-	511.21127	220.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.21800

223.2

[M+Na]+

534.19994

226.9

[M-H]-

510.20344

230.8

[M+NH4]+

529.24454

230.9

[M+K]+

550.17388

220.7

[M+H-H2O]+

494.20798

211.4

[M+HCOO]-

556.20892

231.8

[M+CH3COO]-

570.22457

228.3

[M+Na-2H]-

532.18539

217.9

[M]+

511.21017

220.4

[M]-

511.21127

220.4

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

2-(8-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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