CID 752131

5-ethyl-5h-[1,2,4]triazino[5,6-b]indole-3-thiol

Structural Information

Molecular Formula
C11H10N4S
SMILES
CCN1C2=CC=CC=C2C3=NNC(=S)N=C31
InChI
InChI=1S/C11H10N4S/c1-2-15-8-6-4-3-5-7(8)9-10(15)12-11(16)14-13-9/h3-6H,2H2,1H3,(H,12,14,16)
InChIKey
ODYFFLRTRSEWAJ-UHFFFAOYSA-N
Compound name
5-ethyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

230.06262 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06990 148.3
[M+Na]+ 253.05184 162.5
[M-H]- 229.05534 148.8
[M+NH4]+ 248.09644 165.9
[M+K]+ 269.02578 155.6
[M+H-H2O]+ 213.05988 141.4
[M+HCOO]- 275.06082 162.8
[M+CH3COO]- 289.07647 161.1
[M+Na-2H]- 251.03729 153.9
[M]+ 230.06207 152.1
[M]- 230.06317 152.1
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