CID 5277058

Schembl1044526

Structural Information

Molecular Formula
C22H19Cl2NO3
SMILES
C1CCC(C1)N2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)Cl)C(=O)O
InChI
InChI=1S/C22H19Cl2NO3/c23-18-7-3-4-14(20(18)24)10-13-8-9-19-16(11-13)21(26)17(22(27)28)12-25(19)15-5-1-2-6-15/h3-4,7-9,11-12,15H,1-2,5-6,10H2,(H,27,28)
InChIKey
GFCMHRKZGQNTIO-UHFFFAOYSA-N
Compound name
1-cyclopentyl-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

415.0742 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.08148 196.2
[M+Na]+ 438.06342 205.8
[M-H]- 414.06692 203.8
[M+NH4]+ 433.10802 208.8
[M+K]+ 454.03736 197.4
[M+H-H2O]+ 398.07146 188.3
[M+HCOO]- 460.07240 204.1
[M+CH3COO]- 474.08805 205.5
[M+Na-2H]- 436.04887 193.5
[M]+ 415.07365 199.2
[M]- 415.07475 199.2
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

patents stripe