CID 135440017

Nsc675585

Structural Information

Molecular Formula
C4H3N5S
SMILES
C1=NC(=S)NC2=NNN=C21
InChI
InChI=1S/C4H3N5S/c10-4-5-1-2-3(6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)
InChIKey
JQLSOZRMETYVMM-UHFFFAOYSA-N
Compound name
2,4-dihydrotriazolo[4,5-d]pyrimidine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.01091 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01819 126.3
[M+Na]+ 176.00013 140.0
[M-H]- 152.00363 123.2
[M+NH4]+ 171.04473 143.4
[M+K]+ 191.97407 134.5
[M+H-H2O]+ 136.00817 119.6
[M+HCOO]- 198.00911 140.4
[M+CH3COO]- 212.02476 139.3
[M+Na-2H]- 173.98558 133.0
[M]+ 153.01036 126.5
[M]- 153.01146 126.5
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