CID 385799

Nsc677193

Structural Information

Molecular Formula
C10H9N5OS4
SMILES
CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(S3)SC
InChI
InChI=1S/C10H9N5OS4/c1-5-3-7(16)15-8(11-5)19-6(14-15)4-18-10-13-12-9(17-2)20-10/h3H,4H2,1-2H3
InChIKey
MVXKUMQDJOFOAN-UHFFFAOYSA-N
Compound name
7-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.969 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.97628 166.3
[M+Na]+ 365.95822 183.2
[M-H]- 341.96172 168.7
[M+NH4]+ 361.00282 180.1
[M+K]+ 381.93216 174.2
[M+H-H2O]+ 325.96626 163.2
[M+HCOO]- 387.96720 168.6
[M+CH3COO]- 401.98285 177.2
[M+Na-2H]- 363.94367 165.0
[M]+ 342.96845 172.0
[M]- 342.96955 172.0
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.