CID 9688673

4-(2-(2-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C29H23ClN2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H23ClN2O4/c1-20-5-4-6-23(17-20)29(34)36-25-15-11-21(12-16-25)18-31-32-28(33)26-7-2-3-8-27(26)35-19-22-9-13-24(30)14-10-22/h2-18H,19H2,1H3,(H,32,33)/b31-18+
InChIKey
NVBUUKYDOCRRCA-FDAWAROLSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.13464 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.14192 222.9
[M+Na]+ 521.12386 239.2
[M+NH4]+ 516.16846 229.5
[M+K]+ 537.09780 228.7
[M-H]- 497.12736 232.2
[M+Na-2H]- 519.10931 234.7
[M]+ 498.13409 228.3
[M]- 498.13519 228.3
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.