CID 170524

41498-37-7

Structural Information

Molecular Formula
C19H23NO3
SMILES
COC1=CC=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC
InChI
InChI=1S/C19H23NO3/c1-21-15-6-4-13(5-7-15)10-17-16-12-19(23-3)18(22-2)11-14(16)8-9-20-17/h4-7,11-12,17,20H,8-10H2,1-3H3
InChIKey
GXTUEUWFEKEQHJ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

65
Patents

313.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.1
[M+Na]+ 336.15702 181.8
[M-H]- 312.16052 179.5
[M+NH4]+ 331.20162 188.8
[M+K]+ 352.13096 177.2
[M+H-H2O]+ 296.16506 166.0
[M+HCOO]- 358.16600 192.3
[M+CH3COO]- 372.18165 206.3
[M+Na-2H]- 334.14247 178.3
[M]+ 313.16725 176.2
[M]- 313.16835 176.2
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

patents stripe