CID 2493397

C21h18n2o6

Structural Information

Molecular Formula
C21H18N2O6
SMILES
CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C21H18N2O6/c1-2-28-20(26)14-8-4-6-10-17(14)23-19(25)12-29-21(27)15-11-18(24)22-16-9-5-3-7-13(15)16/h3-11H,2,12H2,1H3,(H,22,24)(H,23,25)
InChIKey
DEXWOCRJDJFQBJ-UHFFFAOYSA-N
Compound name
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1165 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.123776 189.3
[M+Na]+ 417.105718 194.8
[M-H]- 393.109224 194.0
[M+NH4]+ 412.150323 198.3
[M+K]+ 433.079658 191.3
[M+H-H2O]+ 377.113760 179.4
[M+HCOO]- 439.114701 207.9
[M+CH3COO]- 453.130351 220.2
[M+Na-2H]- 415.091166 191.9
[M]+ 394.11595142 192.2
[M]- 394.11704858 192.2
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

No patent data available for this compound.