CID 6319935

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

Structural Information

Molecular Formula
C11H9ClN4S
SMILES
CCN1C2=C(C=C(C=C2)Cl)C3=NNC(=S)N=C31
InChI
InChI=1S/C11H9ClN4S/c1-2-16-8-4-3-6(12)5-7(8)9-10(16)13-11(17)15-14-9/h3-5H,2H2,1H3,(H,13,15,17)
InChIKey
NZWWIEUJXSGTSM-UHFFFAOYSA-N
Compound name
8-chloro-5-ethyl-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

264.02365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03093 154.7
[M+Na]+ 287.01287 170.0
[M-H]- 263.01637 155.1
[M+NH4]+ 282.05747 171.8
[M+K]+ 302.98681 162.0
[M+H-H2O]+ 247.02091 148.1
[M+HCOO]- 309.02185 164.3
[M+CH3COO]- 323.03750 167.1
[M+Na-2H]- 284.99832 158.9
[M]+ 264.02310 160.4
[M]- 264.02420 160.4
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.