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 154.5
[M+Na]+ 262.12023 161.0
[M-H]- 238.12373 158.8
[M+NH4]+ 257.16483 170.8
[M+K]+ 278.09417 155.7
[M+H-H2O]+ 222.12827 146.1
[M+HCOO]- 284.12921 172.5
[M+CH3COO]- 298.14486 165.6
[M+Na-2H]- 260.10568 160.8
[M]+ 239.13046 150.9
[M]- 239.13156 150.9
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