CID 1739369

355421-21-5

Structural Information

Molecular Formula
C22H22ClNO3
SMILES
CCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H22ClNO3/c1-3-4-5-12-27-22(25)19-14-21(15-6-9-17(26-2)10-7-15)24-20-11-8-16(23)13-18(19)20/h6-11,13-14H,3-5,12H2,1-2H3
InChIKey
SNWIWMKGWXFBLQ-UHFFFAOYSA-N
Compound name
pentyl 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1288 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13608 191.5
[M+Na]+ 406.11802 200.0
[M-H]- 382.12152 197.3
[M+NH4]+ 401.16262 203.8
[M+K]+ 422.09196 193.7
[M+H-H2O]+ 366.12606 182.1
[M+HCOO]- 428.12700 206.5
[M+CH3COO]- 442.14265 219.8
[M+Na-2H]- 404.10347 193.8
[M]+ 383.12825 199.1
[M]- 383.12935 199.1
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.