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

13
Patents

325.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.5
[M+Na]+ 348.12062 186.1
[M-H]- 324.12412 181.6
[M+NH4]+ 343.16522 189.3
[M+K]+ 364.09456 181.5
[M+H-H2O]+ 308.12866 166.6
[M+HCOO]- 370.12960 195.8
[M+CH3COO]- 384.14525 209.7
[M+Na-2H]- 346.10607 179.3
[M]+ 325.13085 181.0
[M]- 325.13195 181.0
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

patents stripe