CID 9639615

5-(benzoyloxy)-2-(2-((4-ethylanilino)(oxo)ac)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C31H25N3O6
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C31H25N3O6/c1-2-21-13-16-25(17-14-21)33-28(35)29(36)34-32-20-24-15-18-26(39-30(37)22-9-5-3-6-10-22)19-27(24)40-31(38)23-11-7-4-8-12-23/h3-20H,2H2,1H3,(H,33,35)(H,34,36)/b32-20+
InChIKey
IMCDRXJLRRHKKC-UZWMFBFFSA-N
Compound name
[3-benzoyloxy-4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.1743 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.18158 228.9
[M+Na]+ 558.16352 229.8
[M-H]- 534.16702 241.4
[M+NH4]+ 553.20812 231.6
[M+K]+ 574.13746 227.0
[M+H-H2O]+ 518.17156 215.3
[M+HCOO]- 580.17250 251.8
[M+CH3COO]- 594.18815 254.3
[M+Na-2H]- 556.14897 228.9
[M]+ 535.17375 230.7
[M]- 535.17485 230.7
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.