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 159.1
[M+Na]+ 276.13589 165.1
[M-H]- 252.13939 163.2
[M+NH4]+ 271.18049 174.8
[M+K]+ 292.10983 159.6
[M+H-H2O]+ 236.14393 150.5
[M+HCOO]- 298.14487 176.7
[M+CH3COO]- 312.16052 169.7
[M+Na-2H]- 274.12134 164.8
[M]+ 253.14612 155.8
[M]- 253.14722 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