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 192.8
[M+Na]+ 411.13152 196.2
[M-H]- 387.13502 201.8
[M+NH4]+ 406.17612 202.3
[M+K]+ 427.10546 192.4
[M+H-H2O]+ 371.13956 182.2
[M+HCOO]- 433.14050 215.6
[M+CH3COO]- 447.15615 224.0
[M+Na-2H]- 409.11697 194.6
[M]+ 388.14175 193.0
[M]- 388.14285 193.0
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.