CID 150062

Protopapaverine

Structural Information

Molecular Formula

C₁₉H₁₉NO₄

SMILES

CN1C=CC2=CC(=O)C(=CC2=C1CC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C19H19NO4/c1-20-7-6-13-10-16(21)17(22)11-14(13)15(20)8-12-4-5-18(23-2)19(9-12)24-3/h4-7,9-11,22H,8H2,1-3H3

InChIKey

WBMGWJGLUWZFEE-UHFFFAOYSA-N

Compound name

1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-2-methylisoquinolin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 325.1314 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.138676	175.5
[M+Na]+	348.120618	186.1
[M-H]-	324.124124	181.6
[M+NH4]+	343.165223	189.3
[M+K]+	364.094558	181.5
[M+H-H2O]+	308.128660	166.6
[M+HCOO]-	370.129601	195.8
[M+CH3COO]-	384.145251	209.7
[M+Na-2H]-	346.106066	179.3
[M]+	325.13085142	181.0
[M]-	325.13194858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe