CID 5276276

Schembl9740126

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1=CC2=C(C=C1)N(C(=CC2=O)OC)CC3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-13-8-9-16-15(10-13)17(20)11-18(21-2)19(16)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKey
ASMUJJXOSGEGJM-UHFFFAOYSA-N
Compound name
1-benzyl-2-methoxy-6-methylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.12592 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 164.2
[M+Na]+ 302.11514 174.3
[M-H]- 278.11864 171.0
[M+NH4]+ 297.15974 180.2
[M+K]+ 318.08908 169.1
[M+H-H2O]+ 262.12318 155.2
[M+HCOO]- 324.12412 186.1
[M+CH3COO]- 338.13977 176.7
[M+Na-2H]- 300.10059 170.2
[M]+ 279.12537 167.4
[M]- 279.12647 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

No literature data available for this compound.

Patent stripe

patents stripe