CID 459787

2-(2-hydroxyphenyl)-7-sulfo-benzo[f]quinoline-1-carboxylic acid

Structural Information

Molecular Formula
C20H13NO6S
SMILES
C1=CC=C(C(=C1)C2=CN=C3C=CC4=C(C3=C2C(=O)O)C=CC=C4S(=O)(=O)O)O
InChI
InChI=1S/C20H13NO6S/c22-16-6-2-1-4-11(16)14-10-21-15-9-8-12-13(18(15)19(14)20(23)24)5-3-7-17(12)28(25,26)27/h1-10,22H,(H,23,24)(H,25,26,27)
InChIKey
ZZWZWXMJVBWQIW-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-7-sulfobenzo[f]quinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.04636 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.05364 187.3
[M+Na]+ 418.03558 197.1
[M-H]- 394.03908 191.5
[M+NH4]+ 413.08018 197.2
[M+K]+ 434.00952 191.4
[M+H-H2O]+ 378.04362 179.4
[M+HCOO]- 440.04456 198.3
[M+CH3COO]- 454.06021 196.6
[M+Na-2H]- 416.02103 193.5
[M]+ 395.04581 192.0
[M]- 395.04691 192.0
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.