CID 45055082

765902-06-5

Structural Information

Molecular Formula
C24H23N3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CO3
InChI
InChI=1S/C24H23N3O6/c1-2-13-31-19-11-7-18(8-12-19)23(29)25-16-22(28)27-26-15-17-5-9-20(10-6-17)33-24(30)21-4-3-14-32-21/h3-12,14-15H,2,13,16H2,1H3,(H,25,29)(H,27,28)/b26-15+
InChIKey
VONHDOVQGAWGST-CVKSISIWSA-N
Compound name
[4-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1587 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.16598 207.7
[M+Na]+ 472.14792 210.0
[M-H]- 448.15142 218.9
[M+NH4]+ 467.19252 215.5
[M+K]+ 488.12186 208.9
[M+H-H2O]+ 432.15596 196.9
[M+HCOO]- 494.15690 233.2
[M+CH3COO]- 508.17255 237.5
[M+Na-2H]- 470.13337 208.6
[M]+ 449.15815 212.8
[M]- 449.15925 212.8
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.