CID 3869439

3-[(2-methyl-2,3-dihydro-1h-indol-1-yl)sulfonyl]benzoic acid

Structural Information

Molecular Formula
C16H15NO4S
SMILES
CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C16H15NO4S/c1-11-9-12-5-2-3-8-15(12)17(11)22(20,21)14-7-4-6-13(10-14)16(18)19/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKey
XNIBPBAYVBMMHE-UHFFFAOYSA-N
Compound name
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.07217 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07945 170.4
[M+Na]+ 340.06139 182.1
[M+NH4]+ 335.10599 177.2
[M+K]+ 356.03533 176.9
[M-H]- 316.06489 171.9
[M+Na-2H]- 338.04684 175.5
[M]+ 317.07162 172.8
[M]- 317.07272 172.8
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.