CID 54680363

3-benzylquinoline-2,4-diol

Structural Information

Molecular Formula
C16H13NO2
SMILES
C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C16H13NO2/c18-15-12-8-4-5-9-14(12)17-16(19)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19)
InChIKey
NVGZWGUUHGGGEY-UHFFFAOYSA-N
Compound name
3-benzyl-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

251.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 155.2
[M+Na]+ 274.08386 164.5
[M-H]- 250.08736 159.4
[M+NH4]+ 269.12846 170.7
[M+K]+ 290.05780 158.0
[M+H-H2O]+ 234.09190 147.3
[M+HCOO]- 296.09284 174.9
[M+CH3COO]- 310.10849 167.0
[M+Na-2H]- 272.06931 162.4
[M]+ 251.09409 153.9
[M]- 251.09519 153.9
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.