CID 3057768

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

Structural Information

Molecular Formula
C16H17NO
SMILES
COC1=CC=CC(=C1)C2=CC=CC3=C2CNCC3
InChI
InChI=1S/C16H17NO/c1-18-14-6-2-5-13(10-14)15-7-3-4-12-8-9-17-11-16(12)15/h2-7,10,17H,8-9,11H2,1H3
InChIKey
JKQKLAHGCJSHAM-UHFFFAOYSA-N
Compound name
8-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

239.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 155.6
[M+Na]+ 262.12023 171.0
[M+NH4]+ 257.16483 165.5
[M+K]+ 278.09417 161.9
[M-H]- 238.12373 160.9
[M+Na-2H]- 260.10568 164.6
[M]+ 239.13046 159.5
[M]- 239.13156 159.5
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