CID 17039633

Ethyl 2,7,8-trimethylquinoline-3-carboxylate

Structural Information

Molecular Formula
C15H17NO2
SMILES
CCOC(=O)C1=C(N=C2C(=C(C=CC2=C1)C)C)C
InChI
InChI=1S/C15H17NO2/c1-5-18-15(17)13-8-12-7-6-9(2)10(3)14(12)16-11(13)4/h6-8H,5H2,1-4H3
InChIKey
UHUXLFRXMAMRHH-UHFFFAOYSA-N
Compound name
ethyl 2,7,8-trimethylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 154.8
[M+Na]+ 266.11515 164.8
[M-H]- 242.11865 158.7
[M+NH4]+ 261.15975 173.0
[M+K]+ 282.08909 161.6
[M+H-H2O]+ 226.12319 147.9
[M+HCOO]- 288.12413 175.6
[M+CH3COO]- 302.13978 197.5
[M+Na-2H]- 264.10060 159.1
[M]+ 243.12538 159.2
[M]- 243.12648 159.2
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.