CID 10271170

Chembl398174

Structural Information

Molecular Formula
C17H14ClFN2O3S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C(=C(C=C3)Cl)F)C(=O)N)C
InChI
InChI=1S/C17H14ClFN2O3S/c1-8-5-9(2)7-10(6-8)25(23,24)16-13-12(21-15(16)17(20)22)4-3-11(18)14(13)19/h3-7,21H,1-2H3,(H2,20,22)
InChIKey
IQHOGIMNAWJGAN-UHFFFAOYSA-N
Compound name
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

380.03976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.04704 184.4
[M+Na]+ 403.02898 197.1
[M-H]- 379.03248 189.7
[M+NH4]+ 398.07358 198.8
[M+K]+ 419.00292 189.3
[M+H-H2O]+ 363.03702 178.1
[M+HCOO]- 425.03796 195.0
[M+CH3COO]- 439.05361 215.4
[M+Na-2H]- 401.01443 183.9
[M]+ 380.03921 189.7
[M]- 380.04031 189.7
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