CID 3021964

Quinaldine, 4,7-diethoxy-, hydrochloride

Structural Information

Molecular Formula
C14H17NO2
SMILES
CCOC1=CC2=NC(=CC(=C2C=C1)OCC)C
InChI
InChI=1S/C14H17NO2/c1-4-16-11-6-7-12-13(9-11)15-10(3)8-14(12)17-5-2/h6-9H,4-5H2,1-3H3
InChIKey
ZTLXQYSUCWKGIN-UHFFFAOYSA-N
Compound name
4,7-diethoxy-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 151.9
[M+Na]+ 254.11515 161.3
[M-H]- 230.11865 155.4
[M+NH4]+ 249.15975 170.3
[M+K]+ 270.08909 158.3
[M+H-H2O]+ 214.12319 144.5
[M+HCOO]- 276.12413 173.8
[M+CH3COO]- 290.13978 193.9
[M+Na-2H]- 252.10060 158.5
[M]+ 231.12538 156.8
[M]- 231.12648 156.8
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.