CID 508744

Chembl184474

Structural Information

Molecular Formula
C21H24ClN3O2
SMILES
C1CC(N(C1)CC2=CC=C(C=C2)Cl)CNC(=O)CNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H24ClN3O2/c22-18-10-8-16(9-11-18)15-25-12-4-7-19(25)13-23-20(26)14-24-21(27)17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,26)(H,24,27)
InChIKey
HKFVSJDAOZKFSC-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.1557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.162976 193.3
[M+Na]+ 408.144918 196.6
[M-H]- 384.148424 200.5
[M+NH4]+ 403.189523 204.7
[M+K]+ 424.118858 190.3
[M+H-H2O]+ 368.152960 183.6
[M+HCOO]- 430.153901 209.5
[M+CH3COO]- 444.169551 220.7
[M+Na-2H]- 406.130366 192.3
[M]+ 385.15515142 192.4
[M]- 385.15624858 192.4
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

No patent data available for this compound.