CID 477707

3-methoxy-4-phenyl-1h-quinolin-2-one

Structural Information

Molecular Formula
C16H13NO2
SMILES
COC1=C(C2=CC=CC=C2NC1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO2/c1-19-15-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)17-16(15)18/h2-10H,1H3,(H,17,18)
InChIKey
NDTLHHOQSHJIMX-UHFFFAOYSA-N
Compound name
3-methoxy-4-phenyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

251.09464 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 155.0
[M+Na]+ 274.08386 164.7
[M-H]- 250.08736 160.5
[M+NH4]+ 269.12846 171.2
[M+K]+ 290.05780 159.1
[M+H-H2O]+ 234.09190 146.7
[M+HCOO]- 296.09284 176.2
[M+CH3COO]- 310.10849 167.4
[M+Na-2H]- 272.06931 162.6
[M]+ 251.09409 155.4
[M]- 251.09519 155.4
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