CID 28175

1,3-dioxolo(4,5-g)isoquinoline, 7-methyl-5-((1-methylcyclohexyl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC1=CC2=CC3=C(C=C2C(=N1)CC4(CCCCC4)C)OCO3
InChI
InChI=1S/C19H23NO2/c1-13-8-14-9-17-18(22-12-21-17)10-15(14)16(20-13)11-19(2)6-4-3-5-7-19/h8-10H,3-7,11-12H2,1-2H3
InChIKey
XXMKQUVTSHVADU-UHFFFAOYSA-N
Compound name
7-methyl-5-[(1-methylcyclohexyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.2
[M+Na]+ 320.16210 185.3
[M+NH4]+ 315.20670 182.4
[M+K]+ 336.13604 177.2
[M-H]- 296.16560 178.7
[M+Na-2H]- 318.14755 177.1
[M]+ 297.17233 175.7
[M]- 297.17343 175.7
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.