CID 465625

5oh-8-quinol-so2-(no2)ph

Structural Information

Molecular Formula
C15H14N2O5S
SMILES
C1CC2=C(C=CC(=C2NC1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O
InChI
InChI=1S/C15H14N2O5S/c18-12-7-8-14(15-10(12)4-3-9-16-15)23(21,22)13-6-2-1-5-11(13)17(19)20/h1-2,5-8,16,18H,3-4,9H2
InChIKey
ZVINKHKBWVYTSL-UHFFFAOYSA-N
Compound name
8-(2-nitrophenyl)sulfonyl-1,2,3,4-tetrahydroquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.06235 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.069626 169.2
[M+Na]+ 357.051568 174.4
[M-H]- 333.055074 172.4
[M+NH4]+ 352.096173 180.1
[M+K]+ 373.025508 164.9
[M+H-H2O]+ 317.059610 166.1
[M+HCOO]- 379.060551 181.0
[M+CH3COO]- 393.076201 194.7
[M+Na-2H]- 355.037016 176.5
[M]+ 334.06180142 165.4
[M]- 334.06289858 165.4
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.