CID 3000734

767-17-9

Structural Information

Molecular Formula
C3H5N5S
SMILES
C1(=NC(=S)N=C(N1)N)N
InChI
InChI=1S/C3H5N5S/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
InChIKey
HRIJSYATNFJXHM-UHFFFAOYSA-N
Compound name
2,6-diamino-1H-1,3,5-triazine-4-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

914
Patents

143.02657 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03385 125.2
[M+Na]+ 166.01579 135.8
[M-H]- 142.01929 123.7
[M+NH4]+ 161.06039 142.0
[M+K]+ 181.98973 130.9
[M+H-H2O]+ 126.02383 118.5
[M+HCOO]- 188.02477 141.9
[M+CH3COO]- 202.04042 172.9
[M+Na-2H]- 164.00124 129.9
[M]+ 143.02602 121.3
[M]- 143.02712 121.3
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