CID 45054927

2-ethoxy-4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C26H26N2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(C3=CC=CC=C3)O)OCC
InChI
InChI=1S/C26H26N2O6/c1-3-32-21-13-11-20(12-14-21)26(31)34-22-15-10-18(16-23(22)33-4-2)17-27-28-25(30)24(29)19-8-6-5-7-9-19/h5-17,24,29H,3-4H2,1-2H3,(H,28,30)/b27-17+
InChIKey
JMTNRQBDYVFGHH-WPWMEQJKSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.17908 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18636 211.2
[M+Na]+ 485.16830 213.5
[M-H]- 461.17180 219.9
[M+NH4]+ 480.21290 217.6
[M+K]+ 501.14224 211.1
[M+H-H2O]+ 445.17634 199.5
[M+HCOO]- 507.17728 233.2
[M+CH3COO]- 521.19293 238.4
[M+Na-2H]- 483.15375 211.0
[M]+ 462.17853 215.5
[M]- 462.17963 215.5
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.