CID 151186

6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C17H19NO2
SMILES
COC1=C(C=C2C(NCCC2=C1)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H19NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h3-7,10-11,17-18H,8-9H2,1-2H3
InChIKey
GZGZWZVAJDFXJK-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

55
Patents

269.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 162.7
[M+Na]+ 292.130788 169.5
[M-H]- 268.134294 167.1
[M+NH4]+ 287.175393 177.9
[M+K]+ 308.104728 164.6
[M+H-H2O]+ 252.138830 154.0
[M+HCOO]- 314.139771 180.4
[M+CH3COO]- 328.155421 173.5
[M+Na-2H]- 290.116236 167.6
[M]+ 269.14102142 161.2
[M]- 269.14211858 161.2
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