CID 3087365

4-(2-p-chlorobenzenesulphonamido-indan-5-yl)-4-oxobutyric acid

Structural Information

Molecular Formula
C19H18ClNO5S
SMILES
C1C(CC2=C1C=CC(=C2)C(=O)CCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18ClNO5S/c20-15-3-5-17(6-4-15)27(25,26)21-16-10-12-1-2-13(9-14(12)11-16)18(22)7-8-19(23)24/h1-6,9,16,21H,7-8,10-11H2,(H,23,24)
InChIKey
AKHYZOCADBIWJR-UHFFFAOYSA-N
Compound name
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

407.05942 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.06670 190.3
[M+Na]+ 430.04864 200.1
[M+NH4]+ 425.09324 196.1
[M+K]+ 446.02258 194.9
[M-H]- 406.05214 191.7
[M+Na-2H]- 428.03409 194.3
[M]+ 407.05887 192.5
[M]- 407.05997 192.5
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