CID 9630258

3-(2-(4-(allyloxy)benzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C25H22N2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC=C
InChI
InChI=1S/C25H22N2O5/c1-3-15-31-22-13-7-19(8-14-22)24(28)27-26-17-18-5-4-6-23(16-18)32-25(29)20-9-11-21(30-2)12-10-20/h3-14,16-17H,1,15H2,2H3,(H,27,28)/b26-17+
InChIKey
SMJTYVYBQGTAKT-YZSQISJMSA-N
Compound name
[3-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.15286 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16014 204.4
[M+Na]+ 453.14208 217.0
[M+NH4]+ 448.18668 209.3
[M+K]+ 469.11602 209.3
[M-H]- 429.14558 210.2
[M+Na-2H]- 451.12753 213.2
[M]+ 430.15231 207.6
[M]- 430.15341 207.6
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.