CID 34754

29903-68-2

Structural Information

Molecular Formula
C19H23NO2
SMILES
COC1=C(C=C2C(NCCC2=C1)CCC3=CC=CC=C3)OC
InChI
InChI=1S/C19H23NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-7,12-13,17,20H,8-11H2,1-2H3
InChIKey
ZSTCPHVBMNDKEB-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

297.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 171.8
[M+Na]+ 320.162098 177.7
[M-H]- 296.165604 175.8
[M+NH4]+ 315.206703 185.9
[M+K]+ 336.136038 172.4
[M+H-H2O]+ 280.170140 162.7
[M+HCOO]- 342.171081 188.8
[M+CH3COO]- 356.186731 202.9
[M+Na-2H]- 318.147546 175.6
[M]+ 297.17233142 171.0
[M]- 297.17342858 171.0
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