CID 3352918

Ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)Cl
InChI
InChI=1S/C14H14ClNO2/c1-4-18-14(17)11-7-16-13-9(3)5-8(2)6-10(13)12(11)15/h5-7H,4H2,1-3H3
InChIKey
QOCJKSWVYYUBSD-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

263.07132 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 155.9
[M+Na]+ 286.06054 167.1
[M-H]- 262.06404 159.8
[M+NH4]+ 281.10514 174.1
[M+K]+ 302.03448 162.4
[M+H-H2O]+ 246.06858 149.8
[M+HCOO]- 308.06952 172.4
[M+CH3COO]- 322.08517 198.2
[M+Na-2H]- 284.04599 160.3
[M]+ 263.07077 162.0
[M]- 263.07187 162.0
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

patents stripe