CID 508837

N-[2-oxo-2-[[(3r)-1-(p-tolylmethyl)pyrrolidin-3-yl]amino]ethyl]-3-phenyl-benzamide

Structural Information

Molecular Formula
C27H29N3O2
SMILES
CC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H29N3O2/c1-20-10-12-21(13-11-20)18-30-15-14-25(19-30)29-26(31)17-28-27(32)24-9-5-8-23(16-24)22-6-3-2-4-7-22/h2-13,16,25H,14-15,17-19H2,1H3,(H,28,32)(H,29,31)/t25-/m1/s1
InChIKey
UCAZBFQOTAPSMO-RUZDIDTESA-N
Compound name
N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.22598 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.23326 205.0
[M+Na]+ 450.21520 206.9
[M-H]- 426.21870 215.3
[M+NH4]+ 445.25980 213.3
[M+K]+ 466.18914 200.6
[M+H-H2O]+ 410.22324 193.4
[M+HCOO]- 472.22418 224.8
[M+CH3COO]- 486.23983 232.2
[M+Na-2H]- 448.20065 203.2
[M]+ 427.22543 201.5
[M]- 427.22653 201.5
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.