CID 45527

Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H22ClNO
SMILES
CN1CCC2=C(C1CCC3=CC=C(C=C3)Cl)C=CC(=C2)OC
InChI
InChI=1S/C19H22ClNO/c1-21-12-11-15-13-17(22-2)8-9-18(15)19(21)10-5-14-3-6-16(20)7-4-14/h3-4,6-9,13,19H,5,10-12H2,1-2H3
InChIKey
SVABGLQCVQMDFW-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13898 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14626 174.5
[M+Na]+ 338.12820 191.4
[M+NH4]+ 333.17280 184.5
[M+K]+ 354.10214 180.8
[M-H]- 314.13170 180.3
[M+Na-2H]- 336.11365 182.9
[M]+ 315.13843 179.2
[M]- 315.13953 179.2
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

No patent data available for this compound.