CID 459777

Cid_749032

Structural Information

Molecular Formula
C16H13NO3
SMILES
COC1=CC=C(C=C1)N2C(=O)C=C3C=CC=CC3=C2O
InChI
InChI=1S/C16H13NO3/c1-20-13-8-6-12(7-9-13)17-15(18)10-11-4-2-3-5-14(11)16(17)19/h2-10,19H,1H3
InChIKey
SLRUSIRASCXTAJ-UHFFFAOYSA-N
Compound name
1-hydroxy-2-(4-methoxyphenyl)isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 158.4
[M+Na]+ 290.07876 168.8
[M-H]- 266.08226 164.3
[M+NH4]+ 285.12336 174.1
[M+K]+ 306.05270 163.9
[M+H-H2O]+ 250.08680 150.0
[M+HCOO]- 312.08774 179.7
[M+CH3COO]- 326.10339 171.0
[M+Na-2H]- 288.06421 165.2
[M]+ 267.08899 160.6
[M]- 267.09009 160.6
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.