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
3
Annotation Hits

0
References

3016
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 181.4
[M+Na]+ 397.05618 191.9
[M-H]- 373.05968 185.7
[M+NH4]+ 392.10078 192.1
[M+K]+ 413.03012 186.5
[M+H-H2O]+ 357.06422 172.2
[M+HCOO]- 419.06516 195.6
[M+CH3COO]- 433.08081 214.2
[M+Na-2H]- 395.04163 185.3
[M]+ 374.06641 189.0
[M]- 374.06751 189.0
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