CID 30067

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

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC1=CC2=CC3=C(C=C2C(=N1)C(C)(C)C)OCO3
InChI
InChI=1S/C15H17NO2/c1-9-5-10-6-12-13(18-8-17-12)7-11(10)14(16-9)15(2,3)4/h5-7H,8H2,1-4H3
InChIKey
GAXPLJOOERKNJG-UHFFFAOYSA-N
Compound name
5-tert-butyl-7-methyl-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 156.0
[M+Na]+ 266.11515 166.1
[M-H]- 242.11865 161.9
[M+NH4]+ 261.15975 174.2
[M+K]+ 282.08909 164.9
[M+H-H2O]+ 226.12319 150.2
[M+HCOO]- 288.12413 173.2
[M+CH3COO]- 302.13978 169.3
[M+Na-2H]- 264.10060 163.4
[M]+ 243.12538 160.1
[M]- 243.12648 160.1
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.