CID 22673

1,2,3,4-tetrahydro-2-amyl-6,7-dimethoxyisoquinoline hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCN1CCC2=CC(=C(C=C2C1)OC)OC
InChI
InChI=1S/C16H25NO2/c1-4-5-6-8-17-9-7-13-10-15(18-2)16(19-3)11-14(13)12-17/h10-11H,4-9,12H2,1-3H3
InChIKey
CVKFQOMRMUQNAA-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

263.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 164.1
[M+Na]+ 286.17776 170.5
[M-H]- 262.18126 166.4
[M+NH4]+ 281.22236 181.0
[M+K]+ 302.15170 167.5
[M+H-H2O]+ 246.18580 156.3
[M+HCOO]- 308.18674 182.3
[M+CH3COO]- 322.20239 200.6
[M+Na-2H]- 284.16321 167.6
[M]+ 263.18799 166.9
[M]- 263.18909 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe