CID 132327972

2137646-89-8

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1CC1[C@@H]2CN(C[C@H]2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO4/c25-22(26)20-12-24(11-19(20)14-9-10-14)23(27)28-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,14,19-21H,9-13H2,(H,25,26)/t19-,20+/m0/s1
InChIKey
IVFPTFDNRGYYQE-VQTJNVASSA-N
Compound name
(3S,4S)-4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 186.8
[M+Na]+ 400.15194 194.2
[M-H]- 376.15544 195.7
[M+NH4]+ 395.19654 197.1
[M+K]+ 416.12588 187.9
[M+H-H2O]+ 360.15998 180.4
[M+HCOO]- 422.16092 202.5
[M+CH3COO]- 436.17657 196.0
[M+Na-2H]- 398.13739 183.8
[M]+ 377.16217 189.4
[M]- 377.16327 189.4
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

No patent data available for this compound.