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]+ 244.133206 154.8
[M+Na]+ 266.115148 164.8
[M-H]- 242.118654 158.7
[M+NH4]+ 261.159753 173.0
[M+K]+ 282.089088 161.6
[M+H-H2O]+ 226.123190 147.9
[M+HCOO]- 288.124131 175.6
[M+CH3COO]- 302.139781 197.5
[M+Na-2H]- 264.100596 159.1
[M]+ 243.12538142 159.2
[M]- 243.12647858 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.