CID 5277045

Schembl1044995

Structural Information

Molecular Formula
C19H16Cl2N2O3
SMILES
CN(C)N1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C19H16Cl2N2O3/c1-22(2)23-10-14(19(25)26)18(24)13-9-11(6-7-16(13)23)8-12-4-3-5-15(20)17(12)21/h3-7,9-10H,8H2,1-2H3,(H,25,26)
InChIKey
HRPFYBMLBQIPLW-UHFFFAOYSA-N
Compound name
6-[(2,3-dichlorophenyl)methyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

390.0538 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.06108 185.0
[M+Na]+ 413.04302 196.0
[M-H]- 389.04652 191.5
[M+NH4]+ 408.08762 197.8
[M+K]+ 429.01696 189.8
[M+H-H2O]+ 373.05106 177.7
[M+HCOO]- 435.05200 196.4
[M+CH3COO]- 449.06765 223.5
[M+Na-2H]- 411.02847 186.5
[M]+ 390.05325 192.3
[M]- 390.05435 192.3
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.