CID 28171

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

Structural Information

Molecular Formula
C16H19NO2
SMILES
CCC(C)(C)C1=NC(=CC2=CC3=C(C=C21)OCO3)C
InChI
InChI=1S/C16H19NO2/c1-5-16(3,4)15-12-8-14-13(18-9-19-14)7-11(12)6-10(2)17-15/h6-8H,5,9H2,1-4H3
InChIKey
CORZRTHJBLXSFF-UHFFFAOYSA-N
Compound name
7-methyl-5-(2-methylbutan-2-yl)-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 158.8
[M+Na]+ 280.13079 172.9
[M+NH4]+ 275.17539 167.8
[M+K]+ 296.10473 168.4
[M-H]- 256.13429 163.7
[M+Na-2H]- 278.11624 162.9
[M]+ 257.14102 162.5
[M]- 257.14212 162.5
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.