CID 3074026

1-piperazineacetamide, n-(5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C16H19N5O3S
SMILES
CN1CCN(CC1)CC(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C16H19N5O3S/c1-20-4-6-21(7-5-20)9-14(22)17-16-19-18-15(25-16)11-2-3-12-13(8-11)24-10-23-12/h2-3,8H,4-7,9-10H2,1H3,(H,17,19,22)
InChIKey
WCWLIPLKELSWSW-UHFFFAOYSA-N
Compound name
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12813 180.8
[M+Na]+ 384.11007 191.2
[M+NH4]+ 379.15467 186.9
[M+K]+ 400.08401 188.7
[M-H]- 360.11357 186.3
[M+Na-2H]- 382.09552 184.1
[M]+ 361.12030 184.0
[M]- 361.12140 184.0
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.