CID 471630

4-chloro-n-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN3O/c1-22-10-12-23(13-11-22)14-15-2-8-18(9-3-15)21-19(24)16-4-6-17(20)7-5-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKey
FPQWBBZETJJYGV-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

343.14514 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.152416 182.5
[M+Na]+ 366.134358 187.7
[M-H]- 342.137864 188.2
[M+NH4]+ 361.178963 193.0
[M+K]+ 382.108298 180.9
[M+H-H2O]+ 326.142400 171.8
[M+HCOO]- 388.143341 195.2
[M+CH3COO]- 402.158991 191.1
[M+Na-2H]- 364.119806 183.9
[M]+ 343.14459142 180.0
[M]- 343.14568858 180.0
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