CID 506853

1h-indole-2-carboxamide, 5-chloro-3-[[4-(1-methylethyl)phenyl]thio]-

Structural Information

Molecular Formula
C18H17ClN2OS
SMILES
CC(C)C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C18H17ClN2OS/c1-10(2)11-3-6-13(7-4-11)23-17-14-9-12(19)5-8-15(14)21-16(17)18(20)22/h3-10,21H,1-2H3,(H2,20,22)
InChIKey
DVTQMSBSWKXIKD-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-propan-2-ylphenyl)sulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

344.075 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08228 178.8
[M+Na]+ 367.06422 189.0
[M-H]- 343.06772 184.4
[M+NH4]+ 362.10882 194.5
[M+K]+ 383.03816 181.1
[M+H-H2O]+ 327.07226 172.8
[M+HCOO]- 389.07320 190.2
[M+CH3COO]- 403.08885 189.7
[M+Na-2H]- 365.04967 177.4
[M]+ 344.07445 183.3
[M]- 344.07555 183.3
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.