CID 374760

Nsc653004

Structural Information

Molecular Formula
C17H25NO3
SMILES
COC1=C(C=C2C(NCCC2=C1)C3(CCCCC3)O)OC
InChI
InChI=1S/C17H25NO3/c1-20-14-10-12-6-9-18-16(13(12)11-15(14)21-2)17(19)7-4-3-5-8-17/h10-11,16,18-19H,3-9H2,1-2H3
InChIKey
AUNGERODPATJIY-UHFFFAOYSA-N
Compound name
1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 170.7
[M+Na]+ 314.17266 175.0
[M-H]- 290.17616 173.0
[M+NH4]+ 309.21726 186.2
[M+K]+ 330.14660 170.8
[M+H-H2O]+ 274.18070 162.6
[M+HCOO]- 336.18164 182.8
[M+CH3COO]- 350.19729 197.4
[M+Na-2H]- 312.15811 173.4
[M]+ 291.18289 165.0
[M]- 291.18399 165.0
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

No patent data available for this compound.