CID 51060984

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

Structural Information

Molecular Formula
C21H16N2O5
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C21H16N2O5/c24-16-8-11-18(19(25)12-16)20(26)23-22-13-14-6-9-17(10-7-14)28-21(27)15-4-2-1-3-5-15/h1-13,24-25H,(H,23,26)/b22-13+
InChIKey
UADPTVYZRRRUIY-LPYMAVHISA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.10593 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11321 186.4
[M+Na]+ 399.09515 191.3
[M-H]- 375.09865 194.9
[M+NH4]+ 394.13975 196.0
[M+K]+ 415.06909 187.4
[M+H-H2O]+ 359.10319 176.2
[M+HCOO]- 421.10413 209.6
[M+CH3COO]- 435.11978 218.7
[M+Na-2H]- 397.08060 189.4
[M]+ 376.10538 186.6
[M]- 376.10648 186.6
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.