CID 506846

1h-indole-2-carboxamide, 3-(phenylthio)-

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1=CC=C(C=C1)SC2=C(NC3=CC=CC=C32)C(=O)N
InChI
InChI=1S/C15H12N2OS/c16-15(18)13-14(19-10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-13/h1-9,17H,(H2,16,18)
InChIKey
FSWPMLRYVQIPLP-UHFFFAOYSA-N
Compound name
3-phenylsulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

268.06705 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07433 158.1
[M+Na]+ 291.05627 167.9
[M-H]- 267.05977 163.6
[M+NH4]+ 286.10087 175.6
[M+K]+ 307.03021 161.3
[M+H-H2O]+ 251.06431 151.4
[M+HCOO]- 313.06525 176.3
[M+CH3COO]- 327.08090 170.3
[M+Na-2H]- 289.04172 161.1
[M]+ 268.06650 159.1
[M]- 268.06760 159.2
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

patents stripe