CID 9635513

3-(2-(4-(allyloxy)benzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C24H18Cl2N2O4
SMILES
C=CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H18Cl2N2O4/c1-2-12-31-19-9-6-17(7-10-19)23(29)28-27-15-16-4-3-5-20(13-16)32-24(30)21-11-8-18(25)14-22(21)26/h2-11,13-15H,1,12H2,(H,28,29)/b27-15+
InChIKey
RWNYBPZVTOCRPY-JFLMPSFJSA-N
Compound name
[3-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.06436 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.07164 209.6
[M+Na]+ 491.05358 216.8
[M-H]- 467.05708 219.6
[M+NH4]+ 486.09818 218.8
[M+K]+ 507.02752 209.9
[M+H-H2O]+ 451.06162 200.2
[M+HCOO]- 513.06256 225.3
[M+CH3COO]- 527.07821 237.1
[M+Na-2H]- 489.03903 209.7
[M]+ 468.06381 217.0
[M]- 468.06491 217.0
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.