CID 3044680

Brn 1556813

Structural Information

Molecular Formula
C24H29NO5
SMILES
COC1=C(C=C(C=C1)CC(=O)N2CCC3=C(C2)C(=C(C4=C3CCC4)OC)OC)OC
InChI
InChI=1S/C24H29NO5/c1-27-20-9-8-15(12-21(20)28-2)13-22(26)25-11-10-17-16-6-5-7-18(16)23(29-3)24(30-4)19(17)14-25/h8-9,12H,5-7,10-11,13-14H2,1-4H3
InChIKey
OSRAHJIABNAELS-UHFFFAOYSA-N
Compound name
1-(5,6-dimethoxy-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.20456 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21184 200.5
[M+Na]+ 434.19378 206.5
[M-H]- 410.19728 207.0
[M+NH4]+ 429.23838 213.5
[M+K]+ 450.16772 203.0
[M+H-H2O]+ 394.20182 191.4
[M+HCOO]- 456.20276 215.7
[M+CH3COO]- 470.21841 227.7
[M+Na-2H]- 432.17923 198.4
[M]+ 411.20401 205.2
[M]- 411.20511 205.2
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.