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]+ 378.169996 186.8
[M+Na]+ 400.151938 194.2
[M-H]- 376.155444 195.7
[M+NH4]+ 395.196543 197.1
[M+K]+ 416.125878 187.9
[M+H-H2O]+ 360.159980 180.4
[M+HCOO]- 422.160921 202.5
[M+CH3COO]- 436.176571 196.0
[M+Na-2H]- 398.137386 183.8
[M]+ 377.16217142 189.4
[M]- 377.16326858 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.