CID 118307

36371-24-1

Structural Information

Molecular Formula
C14H21N3O
SMILES
CC1=CC=CC=C1NC(=O)C2CN(CCN2C)C
InChI
InChI=1S/C14H21N3O/c1-11-6-4-5-7-12(11)15-14(18)13-10-16(2)8-9-17(13)3/h4-7,13H,8-10H2,1-3H3,(H,15,18)
InChIKey
UPQNGBQKWAQSRI-UHFFFAOYSA-N
Compound name
1,4-dimethyl-N-(2-methylphenyl)piperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 160.1
[M+Na]+ 270.15768 165.7
[M-H]- 246.16118 163.6
[M+NH4]+ 265.20228 174.5
[M+K]+ 286.13162 162.4
[M+H-H2O]+ 230.16572 151.1
[M+HCOO]- 292.16666 177.9
[M+CH3COO]- 306.18231 198.2
[M+Na-2H]- 268.14313 162.3
[M]+ 247.16791 156.4
[M]- 247.16901 156.4
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.