CID 668161

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide

Structural Information

Molecular Formula
C8H12N4OS
SMILES
CC1=CC(=NC(=N1)SCC(=O)NN)C
InChI
InChI=1S/C8H12N4OS/c1-5-3-6(2)11-8(10-5)14-4-7(13)12-9/h3H,4,9H2,1-2H3,(H,12,13)
InChIKey
RLCZMVPGNOZVLO-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

212.07318 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08046 145.0
[M+Na]+ 235.06240 153.2
[M-H]- 211.06590 146.0
[M+NH4]+ 230.10700 161.2
[M+K]+ 251.03634 149.8
[M+H-H2O]+ 195.07044 137.5
[M+HCOO]- 257.07138 162.7
[M+CH3COO]- 271.08703 190.3
[M+Na-2H]- 233.04785 147.8
[M]+ 212.07263 145.9
[M]- 212.07373 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe