CID 371203

Nsc645253

Structural Information

Molecular Formula
C18H17NO3
SMILES
CN1C=CC2=CC(=O)C(=CC2=C1CC3=CC=C(C=C3)OC)O
InChI
InChI=1S/C18H17NO3/c1-19-8-7-13-10-17(20)18(21)11-15(13)16(19)9-12-3-5-14(22-2)6-4-12/h3-8,10-11,21H,9H2,1-2H3
InChIKey
LCPHLHANZXJDQN-UHFFFAOYSA-N
Compound name
7-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.8
[M+Na]+ 318.11007 178.1
[M-H]- 294.11357 173.7
[M+NH4]+ 313.15467 182.6
[M+K]+ 334.08401 172.9
[M+H-H2O]+ 278.11811 159.1
[M+HCOO]- 340.11905 188.3
[M+CH3COO]- 354.13470 203.3
[M+Na-2H]- 316.09552 172.7
[M]+ 295.12030 171.1
[M]- 295.12140 171.1
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.