CID 9675939

N'-(4-(benzyloxy)benzylidene)-2-(2-isopropyl-5-methylphenoxy)acetohydrazide

Structural Information

Molecular Formula
C26H28N2O3
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C26H28N2O3/c1-19(2)24-14-9-20(3)15-25(24)31-18-26(29)28-27-16-21-10-12-23(13-11-21)30-17-22-7-5-4-6-8-22/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16+
InChIKey
SNYYOXGFKSYVHE-JVWAILMASA-N
Compound name
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21728 204.7
[M+Na]+ 439.19922 208.3
[M-H]- 415.20272 214.8
[M+NH4]+ 434.24382 214.2
[M+K]+ 455.17316 203.9
[M+H-H2O]+ 399.20726 193.2
[M+HCOO]- 461.20820 228.5
[M+CH3COO]- 475.22385 234.5
[M+Na-2H]- 437.18467 205.5
[M]+ 416.20945 208.0
[M]- 416.21055 208.0
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.