CID 3024624

96719-65-2

Structural Information

Molecular Formula
C29H27NO2
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C29H27NO2/c1-31-27-16-17-28-24(20-27)18-19-30(25-10-6-3-7-11-25)29(28)23-12-14-26(15-13-23)32-21-22-8-4-2-5-9-22/h2-17,20,29H,18-19,21H2,1H3
InChIKey
AWYDWYRAFPQDAV-UHFFFAOYSA-N
Compound name
6-methoxy-2-phenyl-1-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2042 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.21148 207.0
[M+Na]+ 444.19342 211.7
[M-H]- 420.19692 217.4
[M+NH4]+ 439.23802 214.9
[M+K]+ 460.16736 204.2
[M+H-H2O]+ 404.20146 193.2
[M+HCOO]- 466.20240 223.7
[M+CH3COO]- 480.21805 214.5
[M+Na-2H]- 442.17887 209.1
[M]+ 421.20365 205.3
[M]- 421.20475 205.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.