CID 136503681

881664-73-9

Structural Information

Molecular Formula
C24H18ClN3O3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H18ClN3O3/c25-20-9-5-16(6-10-20)15-31-21-11-7-17(8-12-21)24(30)28-26-14-19-13-18-3-1-2-4-22(18)27-23(19)29/h1-14H,15H2,(H,27,29)(H,28,30)/b26-14+
InChIKey
SUZOGZAFNSDBFR-VULFUBBASA-N
Compound name
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.10367 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.11095 201.0
[M+Na]+ 454.09289 208.6
[M-H]- 430.09639 209.9
[M+NH4]+ 449.13749 209.8
[M+K]+ 470.06683 200.7
[M+H-H2O]+ 414.10093 189.9
[M+HCOO]- 476.10187 218.9
[M+CH3COO]- 490.11752 209.8
[M+Na-2H]- 452.07834 206.0
[M]+ 431.10312 204.0
[M]- 431.10422 204.0
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

No patent data available for this compound.