CID 7015289

474711-91-6

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CN(CCN1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C11H15N3O/c15-11(14-8-6-12-7-9-14)13-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,13,15)
InChIKey
YEQDVKYOHVLZPU-UHFFFAOYSA-N
Compound name
N-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

273
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 150.1
[M-H]- 204.114224 148.0
[M+NH4]+ 223.155323 161.0
[M+K]+ 244.084658 146.7
[M+H-H2O]+ 188.118760 137.7
[M+HCOO]- 250.119701 163.9
[M+CH3COO]- 264.135351 182.4
[M+Na-2H]- 226.096166 152.1
[M]+ 205.12095142 138.6
[M]- 205.12204858 138.6
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