CID 9552561

4-(2-((4-chlorophenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C22H17ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H17ClN2O4/c23-18-8-12-19(13-9-18)28-15-21(26)25-24-14-16-6-10-20(11-7-16)29-22(27)17-4-2-1-3-5-17/h1-14H,15H2,(H,25,26)/b24-14+
InChIKey
MHAZLKAOMGQXNB-ZVHZXABRSA-N
Compound name
[4-[(E)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08768 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09496 195.3
[M+Na]+ 431.07690 200.8
[M-H]- 407.08040 205.7
[M+NH4]+ 426.12150 205.8
[M+K]+ 447.05084 195.8
[M+H-H2O]+ 391.08494 185.1
[M+HCOO]- 453.08588 216.5
[M+CH3COO]- 467.10153 225.9
[M+Na-2H]- 429.06235 198.6
[M]+ 408.08713 200.2
[M]- 408.08823 200.2
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.