CID 45054757

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

Structural Information

Molecular Formula
C25H24N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CC3=CC=CC=C3)OC
InChI
InChI=1S/C25H24N2O5/c1-3-31-21-12-10-20(11-13-21)25(29)32-22-14-9-19(15-23(22)30-2)17-26-27-24(28)16-18-7-5-4-6-8-18/h4-15,17H,3,16H2,1-2H3,(H,27,28)/b26-17+
InChIKey
QJTCSASBCXMBPU-YZSQISJMSA-N
Compound name
[2-methoxy-4-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.16852 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17580 204.8
[M+Na]+ 455.15774 208.7
[M-H]- 431.16124 215.1
[M+NH4]+ 450.20234 213.3
[M+K]+ 471.13168 205.6
[M+H-H2O]+ 415.16578 193.0
[M+HCOO]- 477.16672 229.5
[M+CH3COO]- 491.18237 234.6
[M+Na-2H]- 453.14319 206.4
[M]+ 432.16797 209.7
[M]- 432.16907 209.7
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.