CID 487549

5,6-dimethoxy-7-[(4-phenoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C24H25NO3
SMILES
COC1=C2CCNCC2=CC(=C1OC)CC3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H25NO3/c1-26-23-18(15-19-16-25-13-12-22(19)24(23)27-2)14-17-8-10-21(11-9-17)28-20-6-4-3-5-7-20/h3-11,15,25H,12-14,16H2,1-2H3
InChIKey
GXAAXEOONMVJGS-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-7-[(4-phenoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19072 192.2
[M+Na]+ 398.17266 197.6
[M-H]- 374.17616 199.2
[M+NH4]+ 393.21726 202.4
[M+K]+ 414.14660 191.6
[M+H-H2O]+ 358.18070 180.9
[M+HCOO]- 420.18164 208.7
[M+CH3COO]- 434.19729 200.7
[M+Na-2H]- 396.15811 194.9
[M]+ 375.18289 191.9
[M]- 375.18399 191.9
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.