PubChemLite - 2137426-56-1 (C30H36N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N(C2CC(C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C30H36N2O6/c1-30(2,3)38-28(35)31-14-8-9-20(17-31)32(21-15-19(16-21)27(33)34)29(36)37-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h4-7,10-13,19-21,26H,8-9,14-18H2,1-3H3,(H,33,34)

InChIKey

WRXGRHXVKFXZBB-UHFFFAOYSA-N

Compound name

3-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclobutane-1-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]+	521.26458	225.7
[M+Na]+	543.24652	223.2
[M-H]-	519.25002	232.8
[M+NH4]+	538.29112	225.8
[M+K]+	559.22046	225.3
[M+H-H2O]+	503.25456	210.5
[M+HCOO]-	565.25550	233.6
[M+CH3COO]-	579.27115	249.1
[M+Na-2H]-	541.23197	220.4
[M]+	520.25675	233.5
[M]-	520.25785	233.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.26458

225.7

[M+Na]+

543.24652

223.2

[M-H]-

519.25002

232.8

[M+NH4]+

538.29112

225.8

[M+K]+

559.22046

225.3

[M+H-H2O]+

503.25456

210.5

[M+HCOO]-

565.25550

233.6

[M+CH3COO]-

579.27115

249.1

[M+Na-2H]-

541.23197

220.4

[M]+

520.25675

233.5

[M]-

520.25785

233.6

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

2137426-56-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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