CID 3066968

1-piperazinecarboxamide, 4-(1,3-benzodioxol-5-yl)-n-((dimethylamino)carbonyl)-n-methyl-

Structural Information

Molecular Formula
C16H22N4O4
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H22N4O4/c1-17(2)15(21)18(3)16(22)20-8-6-19(7-9-20)12-4-5-13-14(10-12)24-11-23-13/h4-5,10H,6-9,11H2,1-3H3
InChIKey
OMKXRLFUWVYBQH-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.1641 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.171376 179.7
[M+Na]+ 357.153318 183.1
[M-H]- 333.156824 187.7
[M+NH4]+ 352.197923 190.9
[M+K]+ 373.127258 185.4
[M+H-H2O]+ 317.161360 170.4
[M+HCOO]- 379.162301 195.9
[M+CH3COO]- 393.177951 217.9
[M+Na-2H]- 355.138766 180.4
[M]+ 334.16355142 180.2
[M]- 334.16464858 180.2
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

patents stripe