CID 9639225

2-methoxy-4-(2-(phenylacetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C23H19ClN2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H19ClN2O4/c1-29-21-13-17(15-25-26-22(27)14-16-7-3-2-4-8-16)11-12-20(21)30-23(28)18-9-5-6-10-19(18)24/h2-13,15H,14H2,1H3,(H,26,27)/b25-15+
InChIKey
JJYJBOWFJUNSKR-MFKUBSTISA-N
Compound name
[2-methoxy-4-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.10333 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11061 200.1
[M+Na]+ 445.09255 206.2
[M-H]- 421.09605 210.7
[M+NH4]+ 440.13715 210.4
[M+K]+ 461.06649 201.0
[M+H-H2O]+ 405.10059 189.9
[M+HCOO]- 467.10153 221.0
[M+CH3COO]- 481.11718 230.0
[M+Na-2H]- 443.07800 202.2
[M]+ 422.10278 205.8
[M]- 422.10388 205.8
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.