CID 135607727

477730-38-4

Structural Information

Molecular Formula
C18H14ClN3O3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)/C=N/NC(=O)COC3=CC=CC=C3Cl
InChI
InChI=1S/C18H14ClN3O3/c19-14-6-2-4-8-16(14)25-11-17(23)22-20-10-13-9-12-5-1-3-7-15(12)21-18(13)24/h1-10H,11H2,(H,21,24)(H,22,23)/b20-10+
InChIKey
JGUJTIWNPRQWRL-KEBDBYFISA-N
Compound name
2-(2-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.07236 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07964 178.7
[M+Na]+ 378.06158 187.0
[M-H]- 354.06508 184.9
[M+NH4]+ 373.10618 191.2
[M+K]+ 394.03552 180.4
[M+H-H2O]+ 338.06962 169.7
[M+HCOO]- 400.07056 197.7
[M+CH3COO]- 414.08621 215.1
[M+Na-2H]- 376.04703 185.2
[M]+ 355.07181 181.9
[M]- 355.07291 181.9
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.