CID 468767

Schembl8938298

Structural Information

Molecular Formula
C20H14ClN3OS
SMILES
C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NC4=CN=CC=C4
InChI
InChI=1S/C20H14ClN3OS/c21-13-8-9-17-16(11-13)19(26-15-6-2-1-3-7-15)18(24-17)20(25)23-14-5-4-10-22-12-14/h1-12,24H,(H,23,25)
InChIKey
MFMRZWPYJWOYGH-UHFFFAOYSA-N
Compound name
5-chloro-3-phenylsulfanyl-N-pyridin-3-yl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

379.0546 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06188 184.9
[M+Na]+ 402.04382 195.4
[M-H]- 378.04732 192.5
[M+NH4]+ 397.08842 197.4
[M+K]+ 418.01776 186.2
[M+H-H2O]+ 362.05186 176.6
[M+HCOO]- 424.05280 197.6
[M+CH3COO]- 438.06845 195.2
[M+Na-2H]- 400.02927 187.7
[M]+ 379.05405 189.1
[M]- 379.05515 189.1
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