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]+ 344.15242 182.8
[M+Na]+ 366.13436 197.4
[M+NH4]+ 361.17896 190.7
[M+K]+ 382.10830 188.3
[M-H]- 342.13786 188.8
[M+Na-2H]- 364.11981 191.8
[M]+ 343.14459 186.8
[M]- 343.14569 186.8
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.