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]+ 307.17648 172.5
[M+Na]+ 329.15842 175.9
[M-H]- 305.16192 177.1
[M+NH4]+ 324.20302 184.3
[M+K]+ 345.13236 175.1
[M+H-H2O]+ 289.16646 162.6
[M+HCOO]- 351.16740 191.3
[M+CH3COO]- 365.18305 210.9
[M+Na-2H]- 327.14387 173.8
[M]+ 306.16865 170.7
[M]- 306.16975 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.