CID 9653564

3-(2-(4-propoxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H21ClN2O4
SMILES
CCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClN2O4/c1-2-14-30-21-12-8-18(9-13-21)23(28)27-26-16-17-4-3-5-22(15-17)31-24(29)19-6-10-20(25)11-7-19/h3-13,15-16H,2,14H2,1H3,(H,27,28)/b26-16+
InChIKey
XRIAINNCRGICCR-WGOQTCKBSA-N
Compound name
[3-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.119 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12628 204.7
[M+Na]+ 459.10822 218.9
[M+NH4]+ 454.15282 211.0
[M+K]+ 475.08216 209.9
[M-H]- 435.11172 211.3
[M+Na-2H]- 457.09367 214.3
[M]+ 436.11845 208.8
[M]- 436.11955 208.8
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.