CID 9633074

765274-99-5

Structural Information

Molecular Formula
C25H41N3O3
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=CC=C1OCC
InChI
InChI=1S/C25H41N3O3/c1-3-5-6-7-8-9-10-11-12-13-14-19-24(29)26-21-25(30)28-27-20-22-17-15-16-18-23(22)31-4-2/h15-18,20H,3-14,19,21H2,1-2H3,(H,26,29)(H,28,30)/b27-20+
InChIKey
LREHVKJYXGSFPL-NHFJDJAPSA-N
Compound name
N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.3148 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.322076 213.4
[M+Na]+ 454.304018 212.7
[M-H]- 430.307524 215.5
[M+NH4]+ 449.348623 222.5
[M+K]+ 470.277958 208.9
[M+H-H2O]+ 414.312060 202.9
[M+HCOO]- 476.313001 236.2
[M+CH3COO]- 490.328651 241.2
[M+Na-2H]- 452.289466 211.5
[M]+ 431.31425142 219.6
[M]- 431.31534858 219.6
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.