CID 3042053

1h-cyclopent(h)isoquinoline, 2,3,4,7,8,9-hexahydro-5,6-dimethoxy-2-(diphenylacetyl)-

Structural Information

Molecular Formula
C28H29NO3
SMILES
COC1=C(C2=C(CN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=C1CCC5)OC
InChI
InChI=1S/C28H29NO3/c1-31-26-22-15-9-14-21(22)24-18-29(17-16-23(24)27(26)32-2)28(30)25(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,25H,9,14-18H2,1-2H3
InChIKey
DVEVVOWKTKHXTA-UHFFFAOYSA-N
Compound name
1-(5,6-dimethoxy-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinolin-2-yl)-2,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.21475 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.22203 206.3
[M+Na]+ 450.20397 220.5
[M+NH4]+ 445.24857 214.8
[M+K]+ 466.17791 213.1
[M-H]- 426.20747 212.9
[M+Na-2H]- 448.18942 213.0
[M]+ 427.21420 210.3
[M]- 427.21530 210.3
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.