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]+ 228.091356 148.3
[M+Na]+ 250.073298 154.8
[M-H]- 226.076804 150.3
[M+NH4]+ 245.117903 163.7
[M+K]+ 266.047238 152.7
[M+H-H2O]+ 210.081340 139.8
[M+HCOO]- 272.082281 167.4
[M+CH3COO]- 286.097931 197.6
[M+Na-2H]- 248.058746 151.8
[M]+ 227.08353142 149.2
[M]- 227.08462858 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.