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]+ 335.06963 169.2
[M+Na]+ 357.05157 174.4
[M-H]- 333.05507 172.4
[M+NH4]+ 352.09617 180.1
[M+K]+ 373.02551 164.9
[M+H-H2O]+ 317.05961 166.1
[M+HCOO]- 379.06055 181.0
[M+CH3COO]- 393.07620 194.7
[M+Na-2H]- 355.03702 176.5
[M]+ 334.06180 165.4
[M]- 334.06290 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.