PubChemLite - 2287249-55-0 (C22H21NO4)

Structural Information

Molecular Formula

SMILES

C1C[C@H]2[C@@H]1CN([C@@H]2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C22H21NO4/c24-21(25)20-14-10-9-13(14)11-23(20)22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19-20H,9-12H2,(H,24,25)/t13-,14-,20-/m0/s1

InChIKey

AMOBCOAVJUWROS-YRVVQQKDSA-N

Compound name

(1S,2S,5R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-3-azabicyclo[3.2.0]heptane-2-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]+	364.15434	184.4
[M+Na]+	386.13628	190.4
[M+NH4]+	381.18088	188.0
[M+K]+	402.11022	189.8
[M-H]-	362.13978	183.7
[M+Na-2H]-	384.12173	183.4
[M]+	363.14651	183.6
[M]-	363.14761	183.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.15434

184.4

[M+Na]+

386.13628

190.4

[M+NH4]+

381.18088

188.0

[M+K]+

402.11022

189.8

[M-H]-

362.13978

183.7

[M+Na-2H]-

384.12173

183.4

[M]+

363.14651

183.6

[M]-

363.14761

183.6

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

2287249-55-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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