CID 840996

23563-33-9

Structural Information

Molecular Formula
C10H7BrN4S
SMILES
CN1C2=C(C=C(C=C2)Br)C3=NNC(=S)N=C31
InChI
InChI=1S/C10H7BrN4S/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
GYYYEIYZUFTNDW-UHFFFAOYSA-N
Compound name
8-bromo-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.96478 149.0
[M+Na]+ 316.94672 155.2
[M+NH4]+ 311.99132 153.9
[M+K]+ 332.92066 154.2
[M-H]- 292.95022 148.8
[M+Na-2H]- 314.93217 151.9
[M]+ 293.95695 149.1
[M]- 293.95805 149.1
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.