CID 9651419

2-(4-(benzyloxy)phenoxy)-n'-(4-butoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C26H28N2O4
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C26H28N2O4/c1-2-3-17-30-23-11-9-21(10-12-23)18-27-28-26(29)20-32-25-15-13-24(14-16-25)31-19-22-7-5-4-6-8-22/h4-16,18H,2-3,17,19-20H2,1H3,(H,28,29)/b27-18+
InChIKey
OOJKQWMNLMGWNE-OVVQPSECSA-N
Compound name
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2049 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 206.4
[M+Na]+ 455.19412 209.1
[M-H]- 431.19762 215.9
[M+NH4]+ 450.23872 214.9
[M+K]+ 471.16806 204.8
[M+H-H2O]+ 415.20216 194.2
[M+HCOO]- 477.20310 231.4
[M+CH3COO]- 491.21875 234.5
[M+Na-2H]- 453.17957 209.3
[M]+ 432.20435 211.2
[M]- 432.20545 211.2
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.