CID 4093984

853319-21-8

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C19H22ClN3O/c1-15-7-8-17(13-18(15)20)21-19(24)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKey
WTXNDOWVNXQLLQ-UHFFFAOYSA-N
Compound name
4-benzyl-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14514 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.152416 182.8
[M+Na]+ 366.134358 188.1
[M-H]- 342.137864 188.5
[M+NH4]+ 361.178963 193.4
[M+K]+ 382.108298 181.4
[M+H-H2O]+ 326.142400 172.2
[M+HCOO]- 388.143341 195.5
[M+CH3COO]- 402.158991 191.4
[M+Na-2H]- 364.119806 184.3
[M]+ 343.14459142 180.3
[M]- 343.14568858 180.3
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.