CID 30065

20232-65-9

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCC(C)CC1=NCCC2=CC(=C(C=C21)OC)OC
InChI
InChI=1S/C16H23NO2/c1-5-11(2)8-14-13-10-16(19-4)15(18-3)9-12(13)6-7-17-14/h9-11H,5-8H2,1-4H3
InChIKey
YOUNAVYUPVYFAI-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-(2-methylbutyl)-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.7
[M+Na]+ 284.16210 169.9
[M-H]- 260.16560 165.5
[M+NH4]+ 279.20670 179.7
[M+K]+ 300.13604 167.2
[M+H-H2O]+ 244.17014 155.1
[M+HCOO]- 306.17108 181.4
[M+CH3COO]- 320.18673 201.1
[M+Na-2H]- 282.14755 166.1
[M]+ 261.17233 166.3
[M]- 261.17343 166.3
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.