CID 840996

8-bromo-5-methyl-5h-1,2,4-triazino(5,6-b)indole-3(2h)-thione

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 144.8
[M+Na]+ 316.94672 163.0
[M-H]- 292.95022 148.8
[M+NH4]+ 311.99132 164.1
[M+K]+ 332.92066 149.0
[M+H-H2O]+ 276.95476 145.7
[M+HCOO]- 338.95570 158.3
[M+CH3COO]- 352.97135 160.1
[M+Na-2H]- 314.93217 152.4
[M]+ 293.95695 167.3
[M]- 293.95805 167.3
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.