CID 1268115

31295-41-7

Structural Information

Molecular Formula
C4H6N4S2
SMILES
C1(=C(NC(=S)NC1=S)N)N
InChI
InChI=1S/C4H6N4S2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChIKey
IQGYCVKWCYGVBK-UHFFFAOYSA-N
Compound name
5,6-diamino-1H-pyrimidine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

385
Patents

174.00339 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01067 129.2
[M+Na]+ 196.99261 139.7
[M-H]- 172.99611 127.2
[M+NH4]+ 192.03721 145.5
[M+K]+ 212.96655 131.3
[M+H-H2O]+ 157.00065 123.5
[M+HCOO]- 219.00159 139.4
[M+CH3COO]- 233.01724 140.5
[M+Na-2H]- 194.97806 130.0
[M]+ 174.00284 123.6
[M]- 174.00394 123.6
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.