CID 483546

Schembl8938416

Structural Information

Molecular Formula
C18H15ClN2O3S
SMILES
C1CC1NC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H15ClN2O3S/c19-11-6-9-15-14(10-11)17(16(21-15)18(22)20-12-7-8-12)25(23,24)13-4-2-1-3-5-13/h1-6,9-10,12,21H,7-8H2,(H,20,22)
InChIKey
UTBZCTVGQZVZLT-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

374.0492 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05648 176.6
[M+Na]+ 397.03842 187.7
[M-H]- 373.04192 185.6
[M+NH4]+ 392.08302 186.0
[M+K]+ 413.01236 179.7
[M+H-H2O]+ 357.04646 170.8
[M+HCOO]- 419.04740 189.6
[M+CH3COO]- 433.06305 187.3
[M+Na-2H]- 395.02387 179.9
[M]+ 374.04865 183.7
[M]- 374.04975 183.7
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