CID 9619491

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

Structural Information

Molecular Formula
C23H20N2O4
SMILES
CC1=CC=CC=C1OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H20N2O4/c1-17-7-5-6-10-21(17)28-16-22(26)25-24-15-18-11-13-20(14-12-18)29-23(27)19-8-3-2-4-9-19/h2-15H,16H2,1H3,(H,25,26)/b24-15+
InChIKey
NHZVFJSBKMJLSU-BUVRLJJBSA-N
Compound name
[4-[(E)-[[2-(2-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]+ 389.149576 193.0
[M+Na]+ 411.131518 197.2
[M-H]- 387.135024 203.3
[M+NH4]+ 406.176123 203.2
[M+K]+ 427.105458 193.5
[M+H-H2O]+ 371.139560 181.8
[M+HCOO]- 433.140501 218.3
[M+CH3COO]- 447.156151 225.4
[M+Na-2H]- 409.116966 196.2
[M]+ 388.14175142 195.5
[M]- 388.14284858 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.