CID 2747564

2770-75-4

Structural Information

Molecular Formula
C3H4N4S2
SMILES
C1(=NC(=S)NC(=S)N1)N
InChI
InChI=1S/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
InChIKey
QQLZTRHXUSFZOM-UHFFFAOYSA-N
Compound name
6-amino-1H-1,3,5-triazine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

771
Patents

159.98773 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99501 125.5
[M+Na]+ 182.97695 136.7
[M-H]- 158.98045 122.7
[M+NH4]+ 178.02155 141.6
[M+K]+ 198.95089 129.0
[M+H-H2O]+ 142.98499 119.7
[M+HCOO]- 204.98593 134.7
[M+CH3COO]- 219.00158 137.1
[M+Na-2H]- 180.96240 127.6
[M]+ 159.98718 121.4
[M]- 159.98828 121.4
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