CID 189896

148473-16-9

Structural Information

Molecular Formula
C15H11ClN2OS
SMILES
C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C15H11ClN2OS/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)20-10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)
InChIKey
SEAXPFZOFZLHLQ-UHFFFAOYSA-N
Compound name
5-chloro-3-phenylsulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

59
Patents

302.02808 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03536 165.2
[M+Na]+ 325.01730 176.4
[M-H]- 301.02080 170.9
[M+NH4]+ 320.06190 182.5
[M+K]+ 340.99124 168.4
[M+H-H2O]+ 285.02534 159.4
[M+HCOO]- 347.02628 178.8
[M+CH3COO]- 361.04193 177.2
[M+Na-2H]- 323.00275 167.0
[M]+ 302.02753 168.8
[M]- 302.02863 168.8
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

patents stripe