CID 698741

355432-94-9

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OC
InChI
InChI=1S/C18H14ClNO2/c1-11-3-5-12(6-4-11)17-10-15(18(21)22-2)14-9-13(19)7-8-16(14)20-17/h3-10H,1-2H3
InChIKey
SITVEWIJYCILLD-UHFFFAOYSA-N
Compound name
methyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07132 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.078596 169.8
[M+Na]+ 334.060538 180.4
[M-H]- 310.064044 176.5
[M+NH4]+ 329.105143 185.3
[M+K]+ 350.034478 174.3
[M+H-H2O]+ 294.068580 161.6
[M+HCOO]- 356.069521 186.2
[M+CH3COO]- 370.085171 181.8
[M+Na-2H]- 332.045986 174.3
[M]+ 311.07077142 174.7
[M]- 311.07186858 174.7
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.