CID 9631373

4-(2-((2-allylphenoxy)acetyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C26H24N2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3CC=C
InChI
InChI=1S/C26H24N2O4/c1-3-7-21-9-4-5-11-24(21)31-18-25(29)28-27-17-20-12-14-23(15-13-20)32-26(30)22-10-6-8-19(2)16-22/h3-6,8-17H,1,7,18H2,2H3,(H,28,29)/b27-17+
InChIKey
CWEIJOJTNLKNAN-WPWMEQJKSA-N
Compound name
[4-[(E)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1736 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18088 206.1
[M+Na]+ 451.16282 219.0
[M+NH4]+ 446.20742 211.5
[M+K]+ 467.13676 210.5
[M-H]- 427.16632 212.3
[M+Na-2H]- 449.14827 215.1
[M]+ 428.17305 209.5
[M]- 428.17415 209.5
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.