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]+ 252.101916 155.2
[M+Na]+ 274.083858 164.5
[M-H]- 250.087364 159.4
[M+NH4]+ 269.128463 170.7
[M+K]+ 290.057798 158.0
[M+H-H2O]+ 234.091900 147.3
[M+HCOO]- 296.092841 174.9
[M+CH3COO]- 310.108491 167.0
[M+Na-2H]- 272.069306 162.4
[M]+ 251.09409142 153.9
[M]- 251.09518858 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

literature stripe

Patent stripe

patents stripe