CID 3024454

(6-dimethylaminopyrimidin-4-ylthio)acetohydrazide

Structural Information

Molecular Formula
C8H13N5OS
SMILES
CN(C)C1=CC(=NC=N1)SCC(=O)NN
InChI
InChI=1S/C8H13N5OS/c1-13(2)6-3-8(11-5-10-6)15-4-7(14)12-9/h3,5H,4,9H2,1-2H3,(H,12,14)
InChIKey
IDQHYABTIQMMSD-UHFFFAOYSA-N
Compound name
2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.08408 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09136 148.3
[M+Na]+ 250.07330 154.8
[M-H]- 226.07680 150.3
[M+NH4]+ 245.11790 163.7
[M+K]+ 266.04724 152.7
[M+H-H2O]+ 210.08134 139.8
[M+HCOO]- 272.08228 167.4
[M+CH3COO]- 286.09793 197.6
[M+Na-2H]- 248.05875 151.8
[M]+ 227.08353 149.2
[M]- 227.08463 149.2
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

No patent data available for this compound.