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]+ 409.24858 201.2
[M+Na]+ 431.23052 202.1
[M-H]- 407.23402 210.2
[M+NH4]+ 426.27512 210.9
[M+K]+ 447.20446 198.5
[M+H-H2O]+ 391.23856 190.5
[M+HCOO]- 453.23950 220.7
[M+CH3COO]- 467.25515 230.5
[M+Na-2H]- 429.21597 202.7
[M]+ 408.24075 199.7
[M]- 408.24185 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.