CID 91944841

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

Structural Information

Molecular Formula
C25H20N2O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NN=CC3=COC4=CC=CC=C4C3=O
InChI
InChI=1S/C25H20N2O4/c1-17-6-8-18(9-7-17)15-30-21-12-10-19(11-13-21)25(29)27-26-14-20-16-31-23-5-3-2-4-22(23)24(20)28/h2-14,16H,15H2,1H3,(H,27,29)
InChIKey
OWWWLTJVODPWIN-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1423 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14958 200.1
[M+Na]+ 435.13152 206.9
[M-H]- 411.13502 212.4
[M+NH4]+ 430.17612 209.4
[M+K]+ 451.10546 203.0
[M+H-H2O]+ 395.13956 188.4
[M+HCOO]- 457.14050 224.1
[M+CH3COO]- 471.15615 231.8
[M+Na-2H]- 433.11697 205.5
[M]+ 412.14175 203.9
[M]- 412.14285 203.9
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.