CID 3382959

2-(4-(benzyloxy)phenoxy)-n'-(4-tert-butylcyclohexylidene)acetohydrazide

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CC(C)(C)C1CCC(=NNC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)CC1
InChI
InChI=1S/C25H32N2O3/c1-25(2,3)20-9-11-21(12-10-20)26-27-24(28)18-30-23-15-13-22(14-16-23)29-17-19-7-5-4-6-8-19/h4-8,13-16,20H,9-12,17-18H2,1-3H3,(H,27,28)
InChIKey
RHAOAZCPHHWDSJ-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-phenylmethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2413 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.248576 201.2
[M+Na]+ 431.230518 202.1
[M-H]- 407.234024 210.2
[M+NH4]+ 426.275123 210.9
[M+K]+ 447.204458 198.5
[M+H-H2O]+ 391.238560 190.5
[M+HCOO]- 453.239501 220.7
[M+CH3COO]- 467.255151 230.5
[M+Na-2H]- 429.215966 202.7
[M]+ 408.24075142 199.7
[M]- 408.24184858 199.7
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.