CID 68363

Octaverine hydrochloride

Structural Information

Molecular Formula
C23H27NO5
SMILES
CCOC1=CC(=CC(=C1OCC)OCC)C2=NC=CC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C23H27NO5/c1-6-27-20-12-16(13-21(28-7-2)23(20)29-8-3)22-17-14-19(26-5)18(25-4)11-15(17)9-10-24-22/h9-14H,6-8H2,1-5H3
InChIKey
NGIFHAUKQGDVSR-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

710
Patents

397.18893 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 197.5
[M+Na]+ 420.17815 213.1
[M+NH4]+ 415.22275 204.1
[M+K]+ 436.15209 204.7
[M-H]- 396.18165 201.6
[M+Na-2H]- 418.16360 204.1
[M]+ 397.18838 201.1
[M]- 397.18948 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe