CID 1930151

355421-08-8

Structural Information

Molecular Formula
C21H20ClNO2
SMILES
CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H20ClNO2/c1-3-4-11-25-21(24)18-13-20(15-7-5-14(2)6-8-15)23-19-10-9-16(22)12-17(18)19/h5-10,12-13H,3-4,11H2,1-2H3
InChIKey
CLOQYTKSUGPTDI-UHFFFAOYSA-N
Compound name
butyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.11826 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12554 183.9
[M+Na]+ 376.10748 193.1
[M-H]- 352.11098 190.0
[M+NH4]+ 371.15208 197.6
[M+K]+ 392.08142 186.3
[M+H-H2O]+ 336.11552 175.0
[M+HCOO]- 398.11646 199.2
[M+CH3COO]- 412.13211 214.8
[M+Na-2H]- 374.09293 186.7
[M]+ 353.11771 189.8
[M]- 353.11881 189.8
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.