CID 9639454

2-(4-butoxyphenoxy)-n'-(4-((4-cl-benzyl)oxy)-3-ethoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C28H31ClN2O5
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OCC
InChI
InChI=1S/C28H31ClN2O5/c1-3-5-16-34-24-11-13-25(14-12-24)35-20-28(32)31-30-18-22-8-15-26(27(17-22)33-4-2)36-19-21-6-9-23(29)10-7-21/h6-15,17-18H,3-5,16,19-20H2,1-2H3,(H,31,32)/b30-18+
InChIKey
SEPDEHZATZVTHO-UXHLAJHPSA-N
Compound name
2-(4-butoxyphenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.19214 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.19942 225.4
[M+Na]+ 533.18136 229.6
[M-H]- 509.18486 235.1
[M+NH4]+ 528.22596 232.2
[M+K]+ 549.15530 224.4
[M+H-H2O]+ 493.18940 213.7
[M+HCOO]- 555.19034 245.4
[M+CH3COO]- 569.20599 248.2
[M+Na-2H]- 531.16681 225.5
[M]+ 510.19159 235.7
[M]- 510.19269 235.7
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.