CID 51060275

3-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08768 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09496 194.6
[M+Na]+ 431.07690 199.4
[M-H]- 407.08040 203.8
[M+NH4]+ 426.12150 204.3
[M+K]+ 447.05084 194.2
[M+H-H2O]+ 391.08494 185.1
[M+HCOO]- 453.08588 213.4
[M+CH3COO]- 467.10153 224.6
[M+Na-2H]- 429.06235 196.5
[M]+ 408.08713 197.2
[M]- 408.08823 197.2
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.