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]+ 262.180156 162.7
[M+Na]+ 284.162098 169.9
[M-H]- 260.165604 165.5
[M+NH4]+ 279.206703 179.7
[M+K]+ 300.136038 167.2
[M+H-H2O]+ 244.170140 155.1
[M+HCOO]- 306.171081 181.4
[M+CH3COO]- 320.186731 201.1
[M+Na-2H]- 282.147546 166.1
[M]+ 261.17233142 166.3
[M]- 261.17342858 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.