CID 118317

36385-56-5

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CNC(CN1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C11H15N3O/c15-11(10-8-12-6-7-13-10)14-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)
InChIKey
SSMDZXXROYTJIS-UHFFFAOYSA-N
Compound name
N-phenylpiperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.1215 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 146.5
[M+Na]+ 228.110718 149.6
[M-H]- 204.114224 146.5
[M+NH4]+ 223.155323 160.1
[M+K]+ 244.084658 145.3
[M+H-H2O]+ 188.118760 137.9
[M+HCOO]- 250.119701 162.3
[M+CH3COO]- 264.135351 180.7
[M+Na-2H]- 226.096166 151.6
[M]+ 205.12095142 136.8
[M]- 205.12204858 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe