CID 6319936

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

Structural Information

Molecular Formula
C10H7N5O2S
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=NNC(=S)N=C31
InChI
InChI=1S/C10H7N5O2S/c1-14-7-3-2-5(15(16)17)4-6(7)8-9(14)11-10(18)13-12-8/h2-4H,1H3,(H,11,13,18)
InChIKey
GFRKRVMUITWERR-UHFFFAOYSA-N
Compound name
5-methyl-8-nitro-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.03204 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03932 151.2
[M+Na]+ 284.02126 163.7
[M-H]- 260.02476 152.2
[M+NH4]+ 279.06586 166.2
[M+K]+ 299.99520 153.5
[M+H-H2O]+ 244.02930 148.6
[M+HCOO]- 306.03024 166.8
[M+CH3COO]- 320.04589 186.7
[M+Na-2H]- 282.00671 159.5
[M]+ 261.03149 152.7
[M]- 261.03259 152.7
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.