CID 506867

540740-88-3

Structural Information

Molecular Formula
C16H13ClN2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
InChIKey
ISDVLXGUCZEBAA-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

348.03354 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.04082 177.9
[M+Na]+ 371.02276 189.6
[M-H]- 347.02626 184.1
[M+NH4]+ 366.06736 193.2
[M+K]+ 386.99670 182.2
[M+H-H2O]+ 331.03080 172.4
[M+HCOO]- 393.03174 190.1
[M+CH3COO]- 407.04739 207.2
[M+Na-2H]- 369.00821 179.7
[M]+ 348.03299 183.0
[M]- 348.03409 183.0
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

No patent data available for this compound.