CID 3044683

Brn 1556552

Structural Information

Molecular Formula
C23H27NO5
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C(=C(C4=C3CCC4)OC)OC)OC
InChI
InChI=1S/C23H27NO5/c1-26-19-9-8-14(12-20(19)27-2)23(25)24-11-10-16-15-6-5-7-17(15)21(28-3)22(29-4)18(16)13-24/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKey
UQFXFNDBHXQKTF-UHFFFAOYSA-N
Compound name
(5,6-dimethoxy-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinolin-3-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 195.9
[M+Na]+ 420.17815 202.4
[M-H]- 396.18165 202.7
[M+NH4]+ 415.22275 209.5
[M+K]+ 436.15209 199.1
[M+H-H2O]+ 380.18619 187.0
[M+HCOO]- 442.18713 211.5
[M+CH3COO]- 456.20278 224.8
[M+Na-2H]- 418.16360 194.3
[M]+ 397.18838 200.3
[M]- 397.18948 200.3
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.