CID 30059

1,3-dioxolo(4,5-g)isoquinoline, 7-veratryl-

Structural Information

Molecular Formula
C19H17NO4
SMILES
COC1=C(C=C(C=C1)CC2=NC=C3C=C4C(=CC3=C2)OCO4)OC
InChI
InChI=1S/C19H17NO4/c1-21-16-4-3-12(6-17(16)22-2)5-15-7-13-8-18-19(24-11-23-18)9-14(13)10-20-15/h3-4,6-10H,5,11H2,1-2H3
InChIKey
KKKZZWQLQNTAQB-UHFFFAOYSA-N
Compound name
7-[(3,4-dimethoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 173.8
[M+Na]+ 346.10497 189.9
[M+NH4]+ 341.14957 182.5
[M+K]+ 362.07891 184.2
[M-H]- 322.10847 181.1
[M+Na-2H]- 344.09042 179.8
[M]+ 323.11520 178.4
[M]- 323.11630 178.4
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.