CID 319667

59886-09-8

Structural Information

Molecular Formula
C4H4N6S
SMILES
C12=C(N=C(N=C1SN=N2)N)N
InChI
InChI=1S/C4H4N6S/c5-2-1-3(11-10-9-1)8-4(6)7-2/h(H4,5,6,7,8)
InChIKey
AOTSGXXFCSZIRR-UHFFFAOYSA-N
Compound name
thiadiazolo[5,4-d]pyrimidine-5,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.02182 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02910 127.7
[M+Na]+ 191.01104 140.9
[M-H]- 167.01454 127.9
[M+NH4]+ 186.05564 146.0
[M+K]+ 206.98498 136.8
[M+H-H2O]+ 151.01908 120.6
[M+HCOO]- 213.02002 146.6
[M+CH3COO]- 227.03567 141.5
[M+Na-2H]- 188.99649 134.5
[M]+ 168.02127 128.8
[M]- 168.02237 128.8
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.