CID 980835

2-pyrrolidinecarboxamide, n-(2-benzoylphenyl)-1-(phenylmethyl)-, (2s)-

Structural Information

Molecular Formula
C25H24N2O2
SMILES
C1C[C@H](N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H24N2O2/c28-24(20-12-5-2-6-13-20)21-14-7-8-15-22(21)26-25(29)23-16-9-17-27(23)18-19-10-3-1-4-11-19/h1-8,10-15,23H,9,16-18H2,(H,26,29)/t23-/m0/s1
InChIKey
IPSABLMEYFYEHS-QHCPKHFHSA-N
Compound name
(2S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

237
Patents

384.18378 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.191056 193.5
[M+Na]+ 407.172998 196.2
[M-H]- 383.176504 203.8
[M+NH4]+ 402.217603 203.5
[M+K]+ 423.146938 190.1
[M+H-H2O]+ 367.181040 182.3
[M+HCOO]- 429.181981 212.9
[M+CH3COO]- 443.197631 201.8
[M+Na-2H]- 405.158446 192.5
[M]+ 384.18323142 189.5
[M]- 384.18432858 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe