CID 132343917

2138278-81-4

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1C=C[C@H](C[C@@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21NO4/c24-21(25)14-6-5-7-15(12-14)23-22(26)27-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-5,7-11,14-15,20H,6,12-13H2,(H,23,26)(H,24,25)/t14-,15-/m1/s1
InChIKey
BMYSYUOLLGYGLW-HUUCEWRRSA-N
Compound name
(1R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 185.8
[M+Na]+ 386.13628 196.8
[M+NH4]+ 381.18088 193.3
[M+K]+ 402.11022 191.8
[M-H]- 362.13978 189.7
[M+Na-2H]- 384.12173 190.3
[M]+ 363.14651 188.2
[M]- 363.14761 188.2
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.