CID 506847

1h-indole-2-carboxamide, 3-[(2-amino-5-chlorophenyl)thio]-

Structural Information

Molecular Formula
C15H12ClN3OS
SMILES
C1=CC=C2C(=C1)C(=C(N2)C(=O)N)SC3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C15H12ClN3OS/c16-8-5-6-10(17)12(7-8)21-14-9-3-1-2-4-11(9)19-13(14)15(18)20/h1-7,19H,17H2,(H2,18,20)
InChIKey
OYTDNJMDOSYFTP-UHFFFAOYSA-N
Compound name
3-(2-amino-5-chlorophenyl)sulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

317.03897 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04625 169.1
[M+Na]+ 340.02819 180.1
[M-H]- 316.03169 174.5
[M+NH4]+ 335.07279 185.3
[M+K]+ 356.00213 171.8
[M+H-H2O]+ 300.03623 163.2
[M+HCOO]- 362.03717 182.9
[M+CH3COO]- 376.05282 180.5
[M+Na-2H]- 338.01364 170.0
[M]+ 317.03842 171.5
[M]- 317.03952 171.5
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.