CID 6319934

8-chloro-5-methyl-2h-[1,2,4]triazino[5,6-b]indole-3-thione

Structural Information

Molecular Formula
C10H7ClN4S
SMILES
CN1C2=C(C=C(C=C2)Cl)C3=NNC(=S)N=C31
InChI
InChI=1S/C10H7ClN4S/c1-15-7-3-2-5(11)4-6(7)8-9(15)12-10(16)14-13-8/h2-4H,1H3,(H,12,14,16)
InChIKey
LTSLXKXFSARPAE-UHFFFAOYSA-N
Compound name
8-chloro-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.008 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01528 150.3
[M+Na]+ 272.99722 166.1
[M-H]- 249.00072 150.9
[M+NH4]+ 268.04182 168.0
[M+K]+ 288.97116 158.3
[M+H-H2O]+ 233.00526 144.0
[M+HCOO]- 295.00620 160.2
[M+CH3COO]- 309.02185 163.2
[M+Na-2H]- 270.98267 155.0
[M]+ 250.00745 155.7
[M]- 250.00855 155.7
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

No patent data available for this compound.