CID 3087370

114149-53-0

Structural Information

Molecular Formula
C19H20ClNO4S
SMILES
C1C(CC2=C1C=CC(=C2)CCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNO4S/c20-16-6-8-18(9-7-16)26(24,25)21-17-11-14-5-4-13(10-15(14)12-17)2-1-3-19(22)23/h4-10,17,21H,1-3,11-12H2,(H,22,23)
InChIKey
SYJTYZKWYGESQH-UHFFFAOYSA-N
Compound name
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

393.08017 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08745 189.2
[M+Na]+ 416.06939 199.9
[M+NH4]+ 411.11399 196.0
[M+K]+ 432.04333 193.3
[M-H]- 392.07289 191.5
[M+Na-2H]- 414.05484 193.8
[M]+ 393.07962 191.9
[M]- 393.08072 191.9
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