CID 59600057

Rac-(1r,2s)-2-[({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1C[C@@H]([C@@H](C1)C(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-21(25)15-11-5-6-14(15)12-23-22(26)27-13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,14-15,20H,5-6,11-13H2,(H,23,26)(H,24,25)/t14-,15-/m1/s1
InChIKey
HWELJLHUQZAYOL-HUUCEWRRSA-N
Compound name
(1R,2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 186.6
[M+Na]+ 388.15194 190.8
[M-H]- 364.15544 193.3
[M+NH4]+ 383.19654 203.1
[M+K]+ 404.12588 186.3
[M+H-H2O]+ 348.15998 179.9
[M+HCOO]- 410.16092 205.0
[M+CH3COO]- 424.17657 215.2
[M+Na-2H]- 386.13739 185.2
[M]+ 365.16217 186.3
[M]- 365.16327 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe