CID 3044679

Brn 1555475

Structural Information

Molecular Formula
C29H33NO2
SMILES
COC1=C(C2=C(CCN(C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C5=C1CCC5)OC
InChI
InChI=1S/C29H33NO2/c1-31-28-26-15-9-14-24(26)25-17-19-30(20-27(25)29(28)32-2)18-16-23(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,23H,9,14-20H2,1-2H3
InChIKey
SCVGIQWFDLXGKO-UHFFFAOYSA-N
Compound name
3-(3,3-diphenylpropyl)-5,6-dimethoxy-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.25113 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.25841 209.1
[M+Na]+ 450.24035 212.4
[M-H]- 426.24385 217.3
[M+NH4]+ 445.28495 220.2
[M+K]+ 466.21429 205.6
[M+H-H2O]+ 410.24839 197.5
[M+HCOO]- 472.24933 223.0
[M+CH3COO]- 486.26498 216.2
[M+Na-2H]- 448.22580 206.8
[M]+ 427.25058 208.0
[M]- 427.25168 208.0
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.