CID 17936020

113033-14-0

Structural Information

Molecular Formula
C18H13NO5S
SMILES
C1C=C(N(C2=CC=CC=C21)S(=O)(=O)O)C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H13NO5S/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19(15)25(22,23)24/h1-8,10,16H,9H2,(H,22,23,24)
InChIKey
VUGDIRDIWKXSHQ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoinden-2-yl)-4H-quinoline-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.05145 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.05873 178.5
[M+Na]+ 378.04067 191.4
[M+NH4]+ 373.08527 185.5
[M+K]+ 394.01461 185.5
[M-H]- 354.04417 180.5
[M+Na-2H]- 376.02612 183.1
[M]+ 355.05090 181.3
[M]- 355.05200 181.3
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.