CID 17039944

948294-10-8

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2N=C1C)C)Cl
InChI
InChI=1S/C14H14ClNO2/c1-4-18-14(17)10-7-11-12(15)6-5-8(2)13(11)16-9(10)3/h5-7H,4H2,1-3H3
InChIKey
MLXDBZOEQRKMDW-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-2,8-dimethylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 156.3
[M+Na]+ 286.06054 172.2
[M+NH4]+ 281.10514 165.0
[M+K]+ 302.03448 164.2
[M-H]- 262.06404 158.7
[M+Na-2H]- 284.04599 162.8
[M]+ 263.07077 159.7
[M]- 263.07187 159.7
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.