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]+ 386.16298 193.3
[M+Na]+ 408.14492 196.6
[M-H]- 384.14842 200.5
[M+NH4]+ 403.18952 204.7
[M+K]+ 424.11886 190.3
[M+H-H2O]+ 368.15296 183.6
[M+HCOO]- 430.15390 209.5
[M+CH3COO]- 444.16955 220.7
[M+Na-2H]- 406.13037 192.3
[M]+ 385.15515 192.4
[M]- 385.15625 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.