CID 506871

Chembl84522

Structural Information

Molecular Formula
C19H19ClN2O3S
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C19H19ClN2O3S/c1-19(2,3)11-4-7-13(8-5-11)26(24,25)17-14-10-12(20)6-9-15(14)22-16(17)18(21)23/h4-10,22H,1-3H3,(H2,21,23)
InChIKey
ZSFZVBXXRRWRJB-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)sulfonyl-5-chloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

390.0805 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08778 192.1
[M+Na]+ 413.06972 202.6
[M-H]- 389.07322 198.1
[M+NH4]+ 408.11432 205.9
[M+K]+ 429.04366 195.5
[M+H-H2O]+ 373.07776 186.6
[M+HCOO]- 435.07870 201.7
[M+CH3COO]- 449.09435 215.8
[M+Na-2H]- 411.05517 193.7
[M]+ 390.07995 197.6
[M]- 390.08105 197.6
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

No patent data available for this compound.