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]+ 318.046246 169.1
[M+Na]+ 340.028188 180.1
[M-H]- 316.031694 174.5
[M+NH4]+ 335.072793 185.3
[M+K]+ 356.002128 171.8
[M+H-H2O]+ 300.036230 163.2
[M+HCOO]- 362.037171 182.9
[M+CH3COO]- 376.052821 180.5
[M+Na-2H]- 338.013636 170.0
[M]+ 317.03842142 171.5
[M]- 317.03951858 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.