CID 9634000

4-(2-(2-(4-(benzyloxy)phenoxy)propanoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C32H30N2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C32H30N2O6/c1-3-37-27-15-11-26(12-16-27)32(36)40-30-13-9-24(10-14-30)21-33-34-31(35)23(2)39-29-19-17-28(18-20-29)38-22-25-7-5-4-6-8-25/h4-21,23H,3,22H2,1-2H3,(H,34,35)/b33-21+
InChIKey
CJDSHLDHZGOSPH-QNKGDIEWSA-N
Compound name
[4-[(E)-[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.2104 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.21768 232.1
[M+Na]+ 561.19962 232.9
[M-H]- 537.20312 244.2
[M+NH4]+ 556.24422 235.0
[M+K]+ 577.17356 230.0
[M+H-H2O]+ 521.20766 218.0
[M+HCOO]- 583.20860 254.1
[M+CH3COO]- 597.22425 253.8
[M+Na-2H]- 559.18507 231.7
[M]+ 538.20985 236.8
[M]- 538.21095 236.8
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.