CID 52963

1,2,3,4-tetrahydro-8-(o-methoxyphenyl)-2-methylisoquinoline hydrochloride

Structural Information

Molecular Formula
C17H19NO
SMILES
CN1CCC2=C(C1)C(=CC=C2)C3=CC=CC=C3OC
InChI
InChI=1S/C17H19NO/c1-18-11-10-13-6-5-8-14(16(13)12-18)15-7-3-4-9-17(15)19-2/h3-9H,10-12H2,1-2H3
InChIKey
WRAZMKWJXODJHK-UHFFFAOYSA-N
Compound name
8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 159.5
[M+Na]+ 276.13589 175.6
[M+NH4]+ 271.18049 169.6
[M+K]+ 292.10983 166.2
[M-H]- 252.13939 165.3
[M+Na-2H]- 274.12134 168.6
[M]+ 253.14612 163.7
[M]- 253.14722 163.7
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