CID 3024623

96719-64-1

Structural Information

Molecular Formula
C23H23NO2
SMILES
COC1=CC=C(C=C1)C2C3=C(CCN2C4=CC=CC=C4)C=C(C=C3)OC
InChI
InChI=1S/C23H23NO2/c1-25-20-10-8-17(9-11-20)23-22-13-12-21(26-2)16-18(22)14-15-24(23)19-6-4-3-5-7-19/h3-13,16,23H,14-15H2,1-2H3
InChIKey
YGGGFIXJKTVTNF-UHFFFAOYSA-N
Compound name
6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

345.17288 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18016 185.0
[M+Na]+ 368.16210 191.5
[M-H]- 344.16560 193.5
[M+NH4]+ 363.20670 197.2
[M+K]+ 384.13604 185.7
[M+H-H2O]+ 328.17014 173.7
[M+HCOO]- 390.17108 203.1
[M+CH3COO]- 404.18673 194.8
[M+Na-2H]- 366.14755 188.5
[M]+ 345.17233 184.7
[M]- 345.17343 184.7
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

patents stripe