CID 3066939

1-(2,4-dimethylallophanoyl)-4-(p-methoxyphenyl)piperazine

Structural Information

Molecular Formula
C15H22N4O3
SMILES
CNC(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H22N4O3/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-4-6-13(22-3)7-5-12/h4-7H,8-11H2,1-3H3,(H,16,20)
InChIKey
VTGAOGDMYAZOCU-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1692 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.176476 172.5
[M+Na]+ 329.158418 175.9
[M-H]- 305.161924 177.1
[M+NH4]+ 324.203023 184.3
[M+K]+ 345.132358 175.1
[M+H-H2O]+ 289.166460 162.6
[M+HCOO]- 351.167401 191.3
[M+CH3COO]- 365.183051 210.9
[M+Na-2H]- 327.143866 173.8
[M]+ 306.16865142 170.7
[M]- 306.16974858 170.7
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.