CID 9558910

4-(2-((3-methylphenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C23H20N2O4
SMILES
CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H20N2O4/c1-17-6-5-9-21(14-17)28-16-22(26)25-24-15-18-10-12-20(13-11-18)29-23(27)19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,25,26)/b24-15+
InChIKey
VRVJBIGTYGREEP-BUVRLJJBSA-N
Compound name
[4-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1423 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14958 193.0
[M+Na]+ 411.13152 197.2
[M-H]- 387.13502 203.3
[M+NH4]+ 406.17612 203.2
[M+K]+ 427.10546 193.5
[M+H-H2O]+ 371.13956 181.8
[M+HCOO]- 433.14050 218.3
[M+CH3COO]- 447.15615 225.4
[M+Na-2H]- 409.11697 196.2
[M]+ 388.14175 195.5
[M]- 388.14285 195.5
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.