CID 118311

36371-27-4

Structural Information

Molecular Formula
C15H23N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CN(CCN2C)C
InChI
InChI=1S/C15H23N3O/c1-11-6-5-7-12(2)14(11)16-15(19)13-10-17(3)8-9-18(13)4/h5-7,13H,8-10H2,1-4H3,(H,16,19)
InChIKey
WUONNANARKFCGH-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 164.6
[M+Na]+ 284.17332 170.7
[M-H]- 260.17682 168.3
[M+NH4]+ 279.21792 178.8
[M+K]+ 300.14726 167.3
[M+H-H2O]+ 244.18136 155.8
[M+HCOO]- 306.18230 182.1
[M+CH3COO]- 320.19795 202.4
[M+Na-2H]- 282.15877 165.5
[M]+ 261.18355 161.7
[M]- 261.18465 161.7
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.