CID 13375444

93609-84-8

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC(=O)C1=C2C=CC(=O)NC2=C(C=C1)OCC3=CC=CC=C3
InChI
InChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21)
InChIKey
MVYPGJMOODJFAZ-UHFFFAOYSA-N
Compound name
5-acetyl-8-phenylmethoxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

293.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.112476 166.3
[M+Na]+ 316.094418 174.8
[M-H]- 292.097924 171.5
[M+NH4]+ 311.139023 180.4
[M+K]+ 332.068358 169.4
[M+H-H2O]+ 276.102460 157.5
[M+HCOO]- 338.103401 186.1
[M+CH3COO]- 352.119051 200.9
[M+Na-2H]- 314.079866 171.6
[M]+ 293.10465142 167.4
[M]- 293.10574858 167.4
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