CID 9569818

Hydrazinecarbothioamide, 2-(9h-pyrido(3,4-b)indol-3-ylmethylene)-

Structural Information

Molecular Formula
C13H11N5S
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=NC(=C3)/C=N/NC(=S)N
InChI
InChI=1S/C13H11N5S/c14-13(19)18-16-6-8-5-10-9-3-1-2-4-11(9)17-12(10)7-15-8/h1-7,17H,(H3,14,18,19)/b16-6+
InChIKey
GLNAHPFAFSQGKU-OMCISZLKSA-N
Compound name
[(E)-9H-pyrido[3,4-b]indol-3-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.07352 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.080796 154.4
[M+Na]+ 292.062738 164.3
[M-H]- 268.066244 157.6
[M+NH4]+ 287.107343 172.0
[M+K]+ 308.036678 157.8
[M+H-H2O]+ 252.070780 147.3
[M+HCOO]- 314.071721 173.9
[M+CH3COO]- 328.087371 166.3
[M+Na-2H]- 290.048186 161.4
[M]+ 269.07297142 155.0
[M]- 269.07406858 155.0
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.