CID 209705

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

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1=CC2=CC3=C(C=C2C(=N1)C4(CCCCC4)C)OCO3
InChI
InChI=1S/C18H21NO2/c1-12-8-13-9-15-16(21-11-20-15)10-14(13)17(19-12)18(2)6-4-3-5-7-18/h8-10H,3-7,11H2,1-2H3
InChIKey
YBZQVQVFTYYSLJ-UHFFFAOYSA-N
Compound name
7-methyl-5-(1-methylcyclohexyl)-[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

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 166.1
[M+Na]+ 306.14645 173.7
[M-H]- 282.14995 174.0
[M+NH4]+ 301.19105 183.6
[M+K]+ 322.12039 171.4
[M+H-H2O]+ 266.15449 158.0
[M+HCOO]- 328.15543 180.9
[M+CH3COO]- 342.17108 177.6
[M+Na-2H]- 304.13190 170.8
[M]+ 283.15668 165.0
[M]- 283.15778 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.