CID 31556

22895-75-6

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCC1C2=CC(=C(C=C2CCN1)OC)OC
InChI
InChI=1S/C16H25NO2/c1-4-5-6-7-14-13-11-16(19-3)15(18-2)10-12(13)8-9-17-14/h10-11,14,17H,4-9H2,1-3H3
InChIKey
HEXJYLSBFSMHSC-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-pentyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 164.5
[M+Na]+ 286.17776 170.5
[M-H]- 262.18126 165.4
[M+NH4]+ 281.22236 180.7
[M+K]+ 302.15170 166.6
[M+H-H2O]+ 246.18580 157.1
[M+HCOO]- 308.18674 181.2
[M+CH3COO]- 322.20239 198.1
[M+Na-2H]- 284.16321 167.6
[M]+ 263.18799 165.4
[M]- 263.18909 165.4
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