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]+ 364.154336 183.9
[M+Na]+ 386.136278 188.3
[M-H]- 362.139784 190.3
[M+NH4]+ 381.180883 198.5
[M+K]+ 402.110218 183.6
[M+H-H2O]+ 346.144320 176.1
[M+HCOO]- 408.145261 201.4
[M+CH3COO]- 422.160911 215.4
[M+Na-2H]- 384.121726 185.2
[M]+ 363.14651142 182.7
[M]- 363.14760858 182.7
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.