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]+ 248.175736 160.1
[M+Na]+ 270.157678 165.7
[M-H]- 246.161184 163.6
[M+NH4]+ 265.202283 174.5
[M+K]+ 286.131618 162.4
[M+H-H2O]+ 230.165720 151.1
[M+HCOO]- 292.166661 177.9
[M+CH3COO]- 306.182311 198.2
[M+Na-2H]- 268.143126 162.3
[M]+ 247.16791142 156.4
[M]- 247.16900858 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.