CID 459785

3-(2-hydroxyphenyl)benzo[f]quinoline-9-sulfonic acid

Structural Information

Molecular Formula
C19H13NO4S
SMILES
C1=CC=C(C(=C1)C2=NC3=C(C=C2)C4=C(C=CC(=C4)S(=O)(=O)O)C=C3)O
InChI
InChI=1S/C19H13NO4S/c21-19-4-2-1-3-15(19)18-10-8-14-16-11-13(25(22,23)24)7-5-12(16)6-9-17(14)20-18/h1-11,21H,(H,22,23,24)
InChIKey
FDPPTJNFWHCBHE-UHFFFAOYSA-N
Compound name
3-(2-hydroxyphenyl)benzo[f]quinoline-9-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.05652 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06380 178.4
[M+Na]+ 374.04574 189.5
[M-H]- 350.04924 184.0
[M+NH4]+ 369.09034 191.2
[M+K]+ 390.01968 182.7
[M+H-H2O]+ 334.05378 170.5
[M+HCOO]- 396.05472 192.0
[M+CH3COO]- 410.07037 189.1
[M+Na-2H]- 372.03119 186.3
[M]+ 351.05597 182.5
[M]- 351.05707 182.5
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.