CID 468761

Schembl8938295

Structural Information

Molecular Formula
C17H15ClN2OS
SMILES
CCNC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2OS/c1-2-19-17(21)15-16(22-12-6-4-3-5-7-12)13-10-11(18)8-9-14(13)20-15/h3-10,20H,2H2,1H3,(H,19,21)
InChIKey
RQSFWINXLRVJKS-UHFFFAOYSA-N
Compound name
5-chloro-N-ethyl-3-phenylsulfanyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

330.05936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06664 174.0
[M+Na]+ 353.04858 184.4
[M-H]- 329.05208 179.9
[M+NH4]+ 348.09318 190.5
[M+K]+ 369.02252 176.3
[M+H-H2O]+ 313.05662 167.6
[M+HCOO]- 375.05756 187.5
[M+CH3COO]- 389.07321 185.4
[M+Na-2H]- 351.03403 175.7
[M]+ 330.05881 179.1
[M]- 330.05991 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe