CID 9556430

Papaveraldine, o-allyloxime, hydrochloride

Structural Information

Molecular Formula
C23H24N2O5
SMILES
COC1=C(C=C(C=C1)/C(=N\OCC=C)/C2=NC=CC3=CC(=C(C=C32)OC)OC)OC
InChI
InChI=1S/C23H24N2O5/c1-6-11-30-25-22(16-7-8-18(26-2)19(13-16)27-3)23-17-14-21(29-5)20(28-4)12-15(17)9-10-24-23/h6-10,12-14H,1,11H2,2-5H3/b25-22+
InChIKey
XKVSWNUIODBRMM-YYDJUVGSSA-N
Compound name
(E)-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)-N-prop-2-enoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.16852 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17580 198.5
[M+Na]+ 431.15774 205.9
[M-H]- 407.16124 206.0
[M+NH4]+ 426.20234 209.1
[M+K]+ 447.13168 202.9
[M+H-H2O]+ 391.16578 187.4
[M+HCOO]- 453.16672 220.7
[M+CH3COO]- 467.18237 231.5
[M+Na-2H]- 429.14319 201.2
[M]+ 408.16797 207.7
[M]- 408.16907 207.7
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.