CID 5387080

3-acetyl-beta-carboline thiosemicarbazone

Structural Information

Molecular Formula
C14H13N5S
SMILES
C/C(=N/NC(=S)N)/C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
InChI=1S/C14H13N5S/c1-8(18-19-14(15)20)12-6-10-9-4-2-3-5-11(9)17-13(10)7-16-12/h2-7,17H,1H3,(H3,15,19,20)/b18-8-
InChIKey
WPDASJZOPPSHTB-LSCVHKIXSA-N
Compound name
[(Z)-1-(9H-pyrido[3,4-b]indol-3-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08917 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09645 159.9
[M+Na]+ 306.07839 168.9
[M-H]- 282.08189 163.0
[M+NH4]+ 301.12299 176.7
[M+K]+ 322.05233 162.8
[M+H-H2O]+ 266.08643 152.7
[M+HCOO]- 328.08737 177.9
[M+CH3COO]- 342.10302 171.1
[M+Na-2H]- 304.06384 165.3
[M]+ 283.08862 160.2
[M]- 283.08972 160.2
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.