CID 9633978

4-(2-(phenylacetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C24H22N2O4
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C24H22N2O4/c1-2-29-21-14-10-20(11-15-21)24(28)30-22-12-8-19(9-13-22)17-25-26-23(27)16-18-6-4-3-5-7-18/h3-15,17H,2,16H2,1H3,(H,26,27)/b25-17+
InChIKey
PBHVNIJTTVGOCH-KOEQRZSOSA-N
Compound name
[4-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.15796 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.165236 197.4
[M+Na]+ 425.147178 201.2
[M-H]- 401.150684 207.6
[M+NH4]+ 420.191783 207.1
[M+K]+ 441.121118 197.3
[M+H-H2O]+ 385.155220 186.1
[M+HCOO]- 447.156161 222.4
[M+CH3COO]- 461.171811 228.3
[M+Na-2H]- 423.132626 200.2
[M]+ 402.15741142 200.3
[M]- 402.15850858 200.3
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.