CID 2058518

N-(3-chlorophenyl)-4-methyl-1-piperazinecarboxamide

Structural Information

Molecular Formula
C12H16ClN3O
SMILES
CN1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H16ClN3O/c1-15-5-7-16(8-6-15)12(17)14-11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H,14,17)
InChIKey
DIFNLBAFQRWRLX-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

253.09819 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10547 157.3
[M+Na]+ 276.08741 163.6
[M-H]- 252.09091 160.5
[M+NH4]+ 271.13201 172.1
[M+K]+ 292.06135 159.1
[M+H-H2O]+ 236.09545 149.0
[M+HCOO]- 298.09639 171.2
[M+CH3COO]- 312.11204 194.0
[M+Na-2H]- 274.07286 160.8
[M]+ 253.09764 154.5
[M]- 253.09874 154.5
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

patents stripe