CID 12477964

1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C17H19NO
SMILES
COC1=CC=CC(=C1)CC2C3=CC=CC=C3CCN2
InChI
InChI=1S/C17H19NO/c1-19-15-7-4-5-13(11-15)12-17-16-8-3-2-6-14(16)9-10-18-17/h2-8,11,17-18H,9-10,12H2,1H3
InChIKey
ZFWWVOFMSMOIPY-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 160.2
[M+Na]+ 276.13589 175.4
[M+NH4]+ 271.18049 169.9
[M+K]+ 292.10983 166.1
[M-H]- 252.13939 165.4
[M+Na-2H]- 274.12134 168.9
[M]+ 253.14612 164.0
[M]- 253.14722 164.0
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