CID 363554

Nsc628518

Structural Information

Molecular Formula
C17H15NO3
SMILES
COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3NC2=O)OC
InChI
InChI=1S/C17H15NO3/c1-20-15-8-7-11(10-16(15)21-2)13-9-12-5-3-4-6-14(12)18-17(13)19/h3-10H,1-2H3,(H,18,19)
InChIKey
ZOFCKDIGIUHZJJ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.0
[M+Na]+ 304.09442 173.0
[M-H]- 280.09792 168.7
[M+NH4]+ 299.13902 178.2
[M+K]+ 320.06836 167.9
[M+H-H2O]+ 264.10246 154.4
[M+HCOO]- 326.10340 184.0
[M+CH3COO]- 340.11905 199.0
[M+Na-2H]- 302.07987 169.3
[M]+ 281.10465 165.6
[M]- 281.10575 165.6
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.