CID 9688180

5-(benzoyloxy)-2-(2-(((4-propoxybenzoyl)amino)ac)carbohydrazonoyl)ph benzoate

Structural Information

Molecular Formula
C33H29N3O7
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=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/C33H29N3O7/c1-2-19-41-27-16-13-23(14-17-27)31(38)34-22-30(37)36-35-21-26-15-18-28(42-32(39)24-9-5-3-6-10-24)20-29(26)43-33(40)25-11-7-4-8-12-25/h3-18,20-21H,2,19,22H2,1H3,(H,34,38)(H,36,37)/b35-21+
InChIKey
MAGUJEHTLJDUNO-XICOUIIWSA-N
Compound name
[3-benzoyloxy-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

579.20056 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.20784 239.5
[M+Na]+ 602.18978 250.2
[M+NH4]+ 597.23438 241.9
[M+K]+ 618.16372 243.4
[M-H]- 578.19328 246.4
[M+Na-2H]- 600.17523 248.4
[M]+ 579.20001 242.5
[M]- 579.20111 242.5
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.