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 177.4
[M+Na]+ 357.15332 185.5
[M+NH4]+ 352.19792 182.9
[M+K]+ 373.12726 185.0
[M-H]- 333.15682 182.1
[M+Na-2H]- 355.13877 179.4
[M]+ 334.16355 179.4
[M]- 334.16465 179.4
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