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]+ 335.17138 179.7
[M+Na]+ 357.15332 183.1
[M-H]- 333.15682 187.7
[M+NH4]+ 352.19792 190.9
[M+K]+ 373.12726 185.4
[M+H-H2O]+ 317.16136 170.4
[M+HCOO]- 379.16230 195.9
[M+CH3COO]- 393.17795 217.9
[M+Na-2H]- 355.13877 180.4
[M]+ 334.16355 180.2
[M]- 334.16465 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