CID 7006550

Rac-(1r,3s)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1C[C@@H](C[C@@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)13-9-10-14(11-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,22,25)(H,23,24)/t13-,14+/m1/s1
InChIKey
BHDMUBZVWRSQOT-KGLIPLIRSA-N
Compound name
cis-(1R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

351.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 182.0
[M+Na]+ 374.136278 186.7
[M-H]- 350.139784 189.0
[M+NH4]+ 369.180883 199.1
[M+K]+ 390.110218 182.4
[M+H-H2O]+ 334.144320 175.6
[M+HCOO]- 396.145261 200.8
[M+CH3COO]- 410.160911 212.3
[M+Na-2H]- 372.121726 181.2
[M]+ 351.14651142 181.4
[M]- 351.14760858 181.4
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