CID 51060967

2-((4-chlorobenzyl)oxy)-n'-((4-oxo-4h-chromen-3-yl)methylene)benzohydrazide

Structural Information

Molecular Formula
C24H17ClN2O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H17ClN2O4/c25-18-11-9-16(10-12-18)14-30-22-8-4-2-6-20(22)24(29)27-26-13-17-15-31-21-7-3-1-5-19(21)23(17)28/h1-13,15H,14H2,(H,27,29)/b26-13+
InChIKey
BRFBAJGJJXELHG-LGJNPRDNSA-N
Compound name
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.08768 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09496 203.1
[M+Na]+ 455.07690 211.2
[M-H]- 431.08040 215.4
[M+NH4]+ 450.12150 212.6
[M+K]+ 471.05084 206.1
[M+H-H2O]+ 415.08494 192.3
[M+HCOO]- 477.08588 223.0
[M+CH3COO]- 491.10153 213.1
[M+Na-2H]- 453.06235 208.6
[M]+ 432.08713 209.4
[M]- 432.08823 209.4
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.