CID 62375582

7-(benzyloxy)-3-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C17H19NO
SMILES
CC1CC2=C(CN1)C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C17H19NO/c1-13-9-15-7-8-17(10-16(15)11-18-13)19-12-14-5-3-2-4-6-14/h2-8,10,13,18H,9,11-12H2,1H3
InChIKey
KFMDORGISZOVMG-UHFFFAOYSA-N
Compound name
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 159.1
[M+Na]+ 276.135888 165.1
[M-H]- 252.139394 163.2
[M+NH4]+ 271.180493 174.8
[M+K]+ 292.109828 159.6
[M+H-H2O]+ 236.143930 150.5
[M+HCOO]- 298.144871 176.7
[M+CH3COO]- 312.160521 169.7
[M+Na-2H]- 274.121336 164.8
[M]+ 253.14612142 155.8
[M]- 253.14721858 155.8
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