CID 45559

1-(4-chlorophenethyl)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C22H26ClNO2
SMILES
COC1=C(C=C2C(N(CCC2=C1)CC=C)CCC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C22H26ClNO2/c1-4-12-24-13-11-17-14-21(25-2)22(26-3)15-19(17)20(24)10-7-16-5-8-18(23)9-6-16/h4-6,8-9,14-15,20H,1,7,10-13H2,2-3H3
InChIKey
XGXZHAZPBLGBNC-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1652 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17248 191.0
[M+Na]+ 394.15442 198.8
[M-H]- 370.15792 196.3
[M+NH4]+ 389.19902 204.1
[M+K]+ 410.12836 191.7
[M+H-H2O]+ 354.16246 181.8
[M+HCOO]- 416.16340 204.0
[M+CH3COO]- 430.17905 219.5
[M+Na-2H]- 392.13987 191.6
[M]+ 371.16465 195.3
[M]- 371.16575 195.3
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.