CID 30064

20232-61-5

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]+ 262.180156 162.6
[M+Na]+ 284.162098 170.1
[M-H]- 260.165604 165.3
[M+NH4]+ 279.206703 179.7
[M+K]+ 300.136038 166.9
[M+H-H2O]+ 244.170140 154.9
[M+HCOO]- 306.171081 182.4
[M+CH3COO]- 320.186731 200.2
[M+Na-2H]- 282.147546 167.2
[M]+ 261.17233142 166.9
[M]- 261.17342858 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.