CID 46864073

Trans-1-benzoyl-4-phenyl-l-proline

Structural Information

Molecular Formula
C18H17NO3
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c20-17(14-9-5-2-6-10-14)19-12-15(11-16(19)18(21)22)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,22)/t15-,16+/m1/s1
InChIKey
NJMASXVCJXPDME-CVEARBPZSA-N
Compound name
(2S,4S)-1-benzoyl-4-phenylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

295.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 168.5
[M+Na]+ 318.110068 173.6
[M-H]- 294.113574 175.3
[M+NH4]+ 313.154673 182.6
[M+K]+ 334.084008 169.4
[M+H-H2O]+ 278.118110 159.9
[M+HCOO]- 340.119051 187.0
[M+CH3COO]- 354.134701 198.5
[M+Na-2H]- 316.095516 168.0
[M]+ 295.12030142 165.2
[M]- 295.12139858 165.2
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

patents stripe