CID 3444320

853319-19-4

Structural Information

Molecular Formula
C13H18ClN3O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C)Cl
InChI
InChI=1S/C13H18ClN3O/c1-10-3-4-11(9-12(10)14)15-13(18)17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKey
CENXSQLADRONCQ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.11383 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.121106 162.1
[M+Na]+ 290.103048 168.8
[M-H]- 266.106554 165.5
[M+NH4]+ 285.147653 176.6
[M+K]+ 306.076988 164.1
[M+H-H2O]+ 250.111090 153.8
[M+HCOO]- 312.112031 175.6
[M+CH3COO]- 326.127681 198.2
[M+Na-2H]- 288.088496 164.2
[M]+ 267.11328142 160.0
[M]- 267.11437858 160.0
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.