CID 45054796

4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C23H20N2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C3=CC=CC=C3)O
InChI
InChI=1S/C23H20N2O4/c1-16-6-5-9-19(14-16)23(28)29-20-12-10-17(11-13-20)15-24-25-22(27)21(26)18-7-3-2-4-8-18/h2-15,21,26H,1H3,(H,25,27)/b24-15+
InChIKey
YXUGAJLOQGRVQE-BUVRLJJBSA-N
Compound name
[4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1423 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 193.8
[M+Na]+ 411.13152 206.1
[M+NH4]+ 406.17612 199.5
[M+K]+ 427.10546 199.3
[M-H]- 387.13502 199.7
[M+Na-2H]- 409.11697 203.0
[M]+ 388.14175 197.0
[M]- 388.14285 197.0
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.