CID 9639041

2-meo-4-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)ph 3-phenylacrylate

Structural Information

Molecular Formula
C32H28N2O5
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC(=C(C=C3)OC(=O)/C=C/C4=CC=CC=C4)OC
InChI
InChI=1S/C32H28N2O5/c1-23-8-10-25(11-9-23)22-38-28-16-14-27(15-17-28)32(36)34-33-21-26-12-18-29(30(20-26)37-2)39-31(35)19-13-24-6-4-3-5-7-24/h3-21H,22H2,1-2H3,(H,34,36)/b19-13+,33-21+
InChIKey
YQJMEDHYKVMZHS-HOKQKXSGSA-N
Compound name
[2-methoxy-4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1998 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.20708 230.7
[M+Na]+ 543.18902 245.0
[M+NH4]+ 538.23362 235.6
[M+K]+ 559.16296 235.3
[M-H]- 519.19252 239.2
[M+Na-2H]- 541.17447 241.3
[M]+ 520.19925 235.1
[M]- 520.20035 235.1
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.