CID 1475552

217493-71-5

Structural Information

Molecular Formula
C17H15NO3
SMILES
COC1=CC=C(C=C1)CN2C(=O)CC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
InChIKey
GTFIXYRYXVQGML-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
Patents

281.1052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.2
[M+Na]+ 304.09442 171.8
[M-H]- 280.09792 169.5
[M+NH4]+ 299.13902 178.7
[M+K]+ 320.06836 167.3
[M+H-H2O]+ 264.10246 154.3
[M+HCOO]- 326.10340 183.0
[M+CH3COO]- 340.11905 201.3
[M+Na-2H]- 302.07987 168.0
[M]+ 281.10465 164.0
[M]- 281.10575 164.0
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