CID 483547

Schembl8938335

Structural Information

Molecular Formula
C19H17ClN2O3S
SMILES
C1CC(C1)NC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H17ClN2O3S/c20-12-9-10-16-15(11-12)18(26(24,25)14-7-2-1-3-8-14)17(22-16)19(23)21-13-5-4-6-13/h1-3,7-11,13,22H,4-6H2,(H,21,23)
InChIKey
UOFCXVDYOWYXET-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-N-cyclobutyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

388.06485 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07213 182.7
[M+Na]+ 411.05407 189.6
[M-H]- 387.05757 190.6
[M+NH4]+ 406.09867 189.4
[M+K]+ 427.02801 185.9
[M+H-H2O]+ 371.06211 169.8
[M+HCOO]- 433.06305 192.8
[M+CH3COO]- 447.07870 215.4
[M+Na-2H]- 409.03952 184.3
[M]+ 388.06430 194.7
[M]- 388.06540 194.7
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