CID 45055208

2-(4-butylphenoxy)-n'-(4-((4-cl-benzyl)oxy)-3-methoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C27H29ClN2O4
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C27H29ClN2O4/c1-3-4-5-20-8-13-24(14-9-20)33-19-27(31)30-29-17-22-10-15-25(26(16-22)32-2)34-18-21-6-11-23(28)12-7-21/h6-17H,3-5,18-19H2,1-2H3,(H,30,31)/b29-17+
InChIKey
LUMSZWCRKVHMCF-STBIYBPSSA-N
Compound name
2-(4-butylphenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.18158 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.18886 219.0
[M+Na]+ 503.17080 223.9
[M-H]- 479.17430 228.9
[M+NH4]+ 498.21540 227.1
[M+K]+ 519.14474 218.1
[M+H-H2O]+ 463.17884 207.7
[M+HCOO]- 525.17978 239.1
[M+CH3COO]- 539.19543 243.2
[M+Na-2H]- 501.15625 219.3
[M]+ 480.18103 227.6
[M]- 480.18213 227.6
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.