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

307
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

literature stripe

Patent stripe

patents stripe