CID 9661273

2-(2-(2-hydroxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C21H15ClN2O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2O)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H15ClN2O4/c22-16-11-9-14(10-12-16)21(27)28-19-8-4-1-5-15(19)13-23-24-20(26)17-6-2-3-7-18(17)25/h1-13,25H,(H,24,26)/b23-13+
InChIKey
OOJSVUJHLJQTMW-YDZHTSKRSA-N
Compound name
[2-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.07202 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07930 190.7
[M+Na]+ 417.06124 197.2
[M-H]- 393.06474 200.4
[M+NH4]+ 412.10584 201.4
[M+K]+ 433.03518 191.7
[M+H-H2O]+ 377.06928 181.4
[M+HCOO]- 439.07022 210.9
[M+CH3COO]- 453.08587 222.0
[M+Na-2H]- 415.04669 193.5
[M]+ 394.07147 194.0
[M]- 394.07257 194.0
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.