CID 135484768

Nsc614793

Structural Information

Molecular Formula
C10H13N3O2S2
SMILES
CC1=NC=C(C(=C1O)/C=N/NC(=S)SC)CO
InChI
InChI=1S/C10H13N3O2S2/c1-6-9(15)8(7(5-14)3-11-6)4-12-13-10(16)17-2/h3-4,14-15H,5H2,1-2H3,(H,13,16)/b12-4+
InChIKey
WEJSDOKXLROLMT-UUILKARUSA-N
Compound name
methyl N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04492 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05220 156.4
[M+Na]+ 294.03414 163.8
[M-H]- 270.03764 157.1
[M+NH4]+ 289.07874 171.1
[M+K]+ 310.00808 157.5
[M+H-H2O]+ 254.04218 149.3
[M+HCOO]- 316.04312 168.0
[M+CH3COO]- 330.05877 197.5
[M+Na-2H]- 292.01959 156.4
[M]+ 271.04437 158.0
[M]- 271.04547 158.0
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.