CID 118966

2-piperazinecarboxanilide, 2'-methyl-, dihydrochloride

Structural Information

Molecular Formula
C12H17N3O
SMILES
CC1=CC=CC=C1NC(=O)N2CCNCC2
InChI
InChI=1S/C12H17N3O/c1-10-4-2-3-5-11(10)14-12(16)15-8-6-13-7-9-15/h2-5,13H,6-9H2,1H3,(H,14,16)
InChIKey
WLBYPRUBXWTYBC-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.13716 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.4
[M+Na]+ 242.12638 155.6
[M-H]- 218.12988 153.1
[M+NH4]+ 237.17098 165.7
[M+K]+ 258.10032 151.9
[M+H-H2O]+ 202.13442 142.7
[M+HCOO]- 264.13536 168.5
[M+CH3COO]- 278.15101 186.6
[M+Na-2H]- 240.11183 155.7
[M]+ 219.13661 144.3
[M]- 219.13771 144.3
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

patents stripe