CID 132342228

2137610-96-7

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1[C@@H]2[C@H]1[C@H](C[C@H]2C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H21NO4/c24-21(25)18-10-20(17-9-16(17)18)23-22(26)27-11-19-14-7-3-1-5-12(14)13-6-2-4-8-15(13)19/h1-8,16-20H,9-11H2,(H,23,26)(H,24,25)/t16-,17+,18-,20+/m1/s1
InChIKey
HDQPAWLBAOJWAM-RMJJICAUSA-N
Compound name
(1R,2R,4S,5S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 178.0
[M+Na]+ 386.13628 186.0
[M-H]- 362.13978 186.4
[M+NH4]+ 381.18088 191.2
[M+K]+ 402.11022 179.5
[M+H-H2O]+ 346.14432 173.2
[M+HCOO]- 408.14526 195.8
[M+CH3COO]- 422.16091 188.2
[M+Na-2H]- 384.12173 178.4
[M]+ 363.14651 182.0
[M]- 363.14761 182.0
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

No patent data available for this compound.