CID 9569818

Brn 6517987

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]+ 270.08080 156.0
[M+Na]+ 292.06274 167.3
[M+NH4]+ 287.10734 164.1
[M+K]+ 308.03668 160.4
[M-H]- 268.06624 159.2
[M+Na-2H]- 290.04819 161.9
[M]+ 269.07297 158.7
[M]- 269.07407 158.7
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.