CID 17039609

2,7-dimethylquinoline-3-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C14H15NO2
SMILES
CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)C)C
InChI
InChI=1S/C14H15NO2/c1-4-17-14(16)12-8-11-6-5-9(2)7-13(11)15-10(12)3/h5-8H,4H2,1-3H3
InChIKey
XECUIRQNZBISJF-UHFFFAOYSA-N
Compound name
ethyl 2,7-dimethylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 151.0
[M+Na]+ 252.09950 165.7
[M+NH4]+ 247.14410 159.4
[M+K]+ 268.07344 158.4
[M-H]- 228.10300 153.3
[M+Na-2H]- 250.08495 157.6
[M]+ 229.10973 153.8
[M]- 229.11083 153.8
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.