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]+ 377.113206 186.4
[M+Na]+ 399.095148 191.3
[M-H]- 375.098654 194.9
[M+NH4]+ 394.139753 196.0
[M+K]+ 415.069088 187.4
[M+H-H2O]+ 359.103190 176.2
[M+HCOO]- 421.104131 209.6
[M+CH3COO]- 435.119781 218.7
[M+Na-2H]- 397.080596 189.4
[M]+ 376.10538142 186.6
[M]- 376.10647858 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.