CID 3042047

Brn 1557134

Structural Information

Molecular Formula
C23H27NO5
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C4=C(CCC4)C(=C3OC)OC)OC
InChI
InChI=1S/C23H27NO5/c1-26-19-9-8-14(12-20(19)27-2)23(25)24-11-10-17-18(13-24)15-6-5-7-16(15)21(28-3)22(17)29-4/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKey
FYSFOSYDQMOVPD-UHFFFAOYSA-N
Compound name
(5,6-dimethoxy-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinolin-2-yl)-(3,4-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.18893 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 195.5
[M+Na]+ 420.17815 208.0
[M+NH4]+ 415.22275 202.7
[M+K]+ 436.15209 202.9
[M-H]- 396.18165 198.9
[M+Na-2H]- 418.16360 198.6
[M]+ 397.18838 198.2
[M]- 397.18948 198.2
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

No patent data available for this compound.