CID 9552820

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

Structural Information

Molecular Formula
C21H16N2O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C21H16N2O4/c24-18-10-8-16(9-11-18)20(25)23-22-14-15-6-12-19(13-7-15)27-21(26)17-4-2-1-3-5-17/h1-14,24H,(H,23,25)/b22-14+
InChIKey
VECZJCCPXCGYOU-HYARGMPZSA-N
Compound name
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.111 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.118276 183.7
[M+Na]+ 383.100218 188.4
[M-H]- 359.103724 193.1
[M+NH4]+ 378.144823 194.5
[M+K]+ 399.074158 184.4
[M+H-H2O]+ 343.108260 173.3
[M+HCOO]- 405.109201 208.2
[M+CH3COO]- 419.124851 217.3
[M+Na-2H]- 381.085666 187.7
[M]+ 360.11045142 183.8
[M]- 360.11154858 183.8
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.