CID 4200301

853319-20-7

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C18H20ClN3O/c1-14-7-8-15(13-17(14)19)20-18(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKey
XYSMGZIKTPWECD-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-4-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1295 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.136776 178.4
[M+Na]+ 352.118718 184.2
[M-H]- 328.122224 184.3
[M+NH4]+ 347.163323 189.6
[M+K]+ 368.092658 177.6
[M+H-H2O]+ 312.126760 168.0
[M+HCOO]- 374.127701 191.5
[M+CH3COO]- 388.143351 187.5
[M+Na-2H]- 350.104166 180.4
[M]+ 329.12895142 175.5
[M]- 329.13004858 175.5
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.