CID 30064

3,4-dihydro-6,7-dimethoxy-1-pentylisoquinoline hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCCCC1=NCCC2=CC(=C(C=C21)OC)OC
InChI
InChI=1S/C16H23NO2/c1-4-5-6-7-14-13-11-16(19-3)15(18-2)10-12(13)8-9-17-14/h10-11H,4-9H2,1-3H3
InChIKey
NYFGTTHQOVPHHX-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-pentyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.6
[M+Na]+ 284.16210 170.1
[M-H]- 260.16560 165.3
[M+NH4]+ 279.20670 179.7
[M+K]+ 300.13604 166.9
[M+H-H2O]+ 244.17014 154.9
[M+HCOO]- 306.17108 182.4
[M+CH3COO]- 320.18673 200.2
[M+Na-2H]- 282.14755 167.2
[M]+ 261.17233 166.9
[M]- 261.17343 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.