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 179.6
[M+Na]+ 378.04067 189.8
[M-H]- 354.04417 186.2
[M+NH4]+ 373.08527 194.8
[M+K]+ 394.01461 184.4
[M+H-H2O]+ 338.04871 173.4
[M+HCOO]- 400.04965 192.3
[M+CH3COO]- 414.06530 190.5
[M+Na-2H]- 376.02612 182.6
[M]+ 355.05090 182.8
[M]- 355.05200 182.8
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.