CID 54687745

Oprea1_384184

Structural Information

Molecular Formula
C20H18N2O5
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3C(=O)OC)O
InChI
InChI=1S/C20H18N2O5/c1-3-22-15-11-7-5-9-13(15)17(23)16(19(22)25)18(24)21-14-10-6-4-8-12(14)20(26)27-2/h4-11,23H,3H2,1-2H3,(H,21,24)
InChIKey
BQROTTGPJNMYNV-UHFFFAOYSA-N
Compound name
methyl 2-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

366.12158 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 184.1
[M+Na]+ 389.11080 192.1
[M-H]- 365.11430 189.7
[M+NH4]+ 384.15540 195.1
[M+K]+ 405.08474 188.2
[M+H-H2O]+ 349.11884 174.8
[M+HCOO]- 411.11978 203.7
[M+CH3COO]- 425.13543 218.1
[M+Na-2H]- 387.09625 186.6
[M]+ 366.12103 187.5
[M]- 366.12213 187.5
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.