CID 28185

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

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1=CC2=CC3=C(C=C2C(=N1)CC4(CCCC4)C)OCO3
InChI
InChI=1S/C18H21NO2/c1-12-7-13-8-16-17(21-11-20-16)9-14(13)15(19-12)10-18(2)5-3-4-6-18/h7-9H,3-6,10-11H2,1-2H3
InChIKey
VGMUFEAKNKGGNB-UHFFFAOYSA-N
Compound name
7-methyl-5-[(1-methylcyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 165.3
[M+Na]+ 306.14645 178.5
[M+NH4]+ 301.19105 176.4
[M+K]+ 322.12039 173.1
[M-H]- 282.14995 172.2
[M+Na-2H]- 304.13190 170.7
[M]+ 283.15668 169.5
[M]- 283.15778 169.5
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.