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]+ 312.07860 169.8
[M+Na]+ 334.06054 180.4
[M-H]- 310.06404 176.5
[M+NH4]+ 329.10514 185.3
[M+K]+ 350.03448 174.3
[M+H-H2O]+ 294.06858 161.6
[M+HCOO]- 356.06952 186.2
[M+CH3COO]- 370.08517 181.8
[M+Na-2H]- 332.04599 174.3
[M]+ 311.07077 174.7
[M]- 311.07187 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.