CID 16227020

923125-02-4

Structural Information

Molecular Formula
C13H16ClN3O2
SMILES
C1CN(CCN1C(=O)CCl)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H16ClN3O2/c14-10-12(18)16-6-8-17(9-7-16)13(19)15-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)
InChIKey
HCMUFRJGPVGTSD-UHFFFAOYSA-N
Compound name
4-(2-chloroacetyl)-N-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0931 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10038 163.1
[M+Na]+ 304.08232 167.9
[M-H]- 280.08582 165.9
[M+NH4]+ 299.12692 176.2
[M+K]+ 320.05626 163.7
[M+H-H2O]+ 264.09036 154.4
[M+HCOO]- 326.09130 176.1
[M+CH3COO]- 340.10695 197.4
[M+Na-2H]- 302.06777 165.7
[M]+ 281.09255 160.3
[M]- 281.09365 160.3
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.