CID 10915750

130561-48-7

Structural Information

Molecular Formula
C18H15ClN2O5
SMILES
COCCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)
InChIKey
QLMNCUHSDAGQGT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2930
Patents

374.06696 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07424 182.9
[M+Na]+ 397.05618 199.0
[M+NH4]+ 392.10078 188.9
[M+K]+ 413.03012 192.0
[M-H]- 373.05968 185.2
[M+Na-2H]- 395.04163 189.6
[M]+ 374.06641 186.1
[M]- 374.06751 186.1
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

patents stripe