CID 135440018

87866-18-0

Structural Information

Molecular Formula
C4H4N6S
SMILES
C12=NNN=C1NC(=S)N=C2N
InChI
InChI=1S/C4H4N6S/c5-2-1-3(9-10-8-1)7-4(11)6-2/h(H4,5,6,7,8,9,10,11)
InChIKey
JLMNKZSTJKHESS-UHFFFAOYSA-N
Compound name
7-amino-2,4-dihydrotriazolo[4,5-d]pyrimidine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

168.02182 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02910 130.4
[M+Na]+ 191.01104 144.1
[M-H]- 167.01454 127.2
[M+NH4]+ 186.05564 146.6
[M+K]+ 206.98498 137.9
[M+H-H2O]+ 151.01908 123.8
[M+HCOO]- 213.02002 144.9
[M+CH3COO]- 227.03567 142.9
[M+Na-2H]- 188.99649 136.3
[M]+ 168.02127 129.5
[M]- 168.02237 129.5
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