CID 9620604

2-ethoxy-4-(2-(2-methylbenzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C24H22N2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2C)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H22N2O4/c1-3-29-22-15-18(16-25-26-23(27)20-12-8-7-9-17(20)2)13-14-21(22)30-24(28)19-10-5-4-6-11-19/h4-16H,3H2,1-2H3,(H,26,27)/b25-16+
InChIKey
LFNKLRKMCYILIE-PCLIKHOPSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.15796 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16524 197.8
[M+Na]+ 425.14718 202.4
[M-H]- 401.15068 208.3
[M+NH4]+ 420.19178 207.8
[M+K]+ 441.12112 198.7
[M+H-H2O]+ 385.15522 186.6
[M+HCOO]- 447.15616 222.7
[M+CH3COO]- 461.17181 229.5
[M+Na-2H]- 423.13263 199.8
[M]+ 402.15741 201.0
[M]- 402.15851 201.1
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.