CID 9626905

2-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C21H15ClN2O5
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=C(C=C(C=C2)O)O)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H15ClN2O5/c22-15-7-5-13(6-8-15)21(28)29-19-4-2-1-3-14(19)12-23-24-20(27)17-10-9-16(25)11-18(17)26/h1-12,25-26H,(H,24,27)/b23-12+
InChIKey
CUDMCHDKTSZQLA-FSJBWODESA-N
Compound name
[2-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.06696 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.07424 193.0
[M+Na]+ 433.05618 199.7
[M-H]- 409.05968 201.7
[M+NH4]+ 428.10078 202.5
[M+K]+ 449.03012 194.4
[M+H-H2O]+ 393.06422 184.0
[M+HCOO]- 455.06516 211.8
[M+CH3COO]- 469.08081 223.5
[M+Na-2H]- 431.04163 194.9
[M]+ 410.06641 196.3
[M]- 410.06751 196.3
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.