CID 464790

173908-47-9

Structural Information

Molecular Formula
C17H15ClN2O4S
SMILES
CCOC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C17H15ClN2O4S/c1-2-24-17(21)15-9-11-5-3-4-6-14(11)20(15)25(22,23)16-10-12(18)7-8-13(16)19/h3-10H,2,19H2,1H3
InChIKey
KEKPJYIQOLPKNC-UHFFFAOYSA-N
Compound name
ethyl 1-(2-amino-5-chlorophenyl)sulfonylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

378.0441 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.05138 185.7
[M+Na]+ 401.03332 197.2
[M-H]- 377.03682 193.2
[M+NH4]+ 396.07792 200.5
[M+K]+ 417.00726 191.2
[M+H-H2O]+ 361.04136 179.5
[M+HCOO]- 423.04230 199.3
[M+CH3COO]- 437.05795 213.9
[M+Na-2H]- 399.01877 187.7
[M]+ 378.04355 194.3
[M]- 378.04465 194.3
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.