CID 51060637

4-(2-(((4-propoxybenzoyl)amino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C26H25N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H25N3O5/c1-2-16-33-22-14-10-20(11-15-22)25(31)27-18-24(30)29-28-17-19-8-12-23(13-9-19)34-26(32)21-6-4-3-5-7-21/h3-15,17H,2,16,18H2,1H3,(H,27,31)(H,29,30)/b28-17+
InChIKey
GEWGLRWXLGXNSG-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1794 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.18668 210.7
[M+Na]+ 482.16862 212.3
[M-H]- 458.17212 220.4
[M+NH4]+ 477.21322 217.4
[M+K]+ 498.14256 209.2
[M+H-H2O]+ 442.17666 198.6
[M+HCOO]- 504.17760 235.3
[M+CH3COO]- 518.19325 241.1
[M+Na-2H]- 480.15407 212.2
[M]+ 459.17885 213.5
[M]- 459.17995 213.5
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.