CID 135416732

7h-1,2,3-triazolo(4,5-d)pyrimidin-7-one, 3,4,5,6-tetrahydro-5-thioxo-

Structural Information

Molecular Formula
C4H3N5OS
SMILES
C12=NNN=C1NC(=S)NC2=O
InChI
InChI=1S/C4H3N5OS/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChIKey
YLORBLDFYRRZLA-UHFFFAOYSA-N
Compound name
5-sulfanylidene-2,4-dihydrotriazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

169.00583 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01311 130.8
[M+Na]+ 191.99505 144.9
[M-H]- 167.99855 126.7
[M+NH4]+ 187.03965 146.7
[M+K]+ 207.96899 138.3
[M+H-H2O]+ 152.00309 124.7
[M+HCOO]- 214.00403 143.7
[M+CH3COO]- 228.01968 143.2
[M+Na-2H]- 189.98050 136.3
[M]+ 169.00528 130.3
[M]- 169.00638 130.3
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

patents stripe