CID 9689138

2-((1,1'-biphenyl)-4-yloxy)-n'-(4-butoxybenzylidene)propanohydrazide

Structural Information

Molecular Formula
C26H28N2O3
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H28N2O3/c1-3-4-18-30-24-14-10-21(11-15-24)19-27-28-26(29)20(2)31-25-16-12-23(13-17-25)22-8-6-5-7-9-22/h5-17,19-20H,3-4,18H2,1-2H3,(H,28,29)/b27-19+
InChIKey
VRDXKNWMWYWCNM-ZXVVBBHZSA-N
Compound name
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21728 204.3
[M+Na]+ 439.19922 207.0
[M-H]- 415.20272 213.9
[M+NH4]+ 434.24382 213.5
[M+K]+ 455.17316 202.5
[M+H-H2O]+ 399.20726 192.7
[M+HCOO]- 461.20820 228.2
[M+CH3COO]- 475.22385 233.3
[M+Na-2H]- 437.18467 205.9
[M]+ 416.20945 207.2
[M]- 416.21055 207.2
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.