CID 45054547

769143-37-5

Structural Information

Molecular Formula
C21H36N2O2
SMILES
CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC=CO1
InChI
InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(24)23-22-19-20-16-15-18-25-20/h15-16,18-19H,2-14,17H2,1H3,(H,23,24)/b22-19+
InChIKey
ZZIBEUMPAREPMV-ZBJSNUHESA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.27768 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.28496 194.7
[M+Na]+ 371.26690 195.8
[M-H]- 347.27040 197.8
[M+NH4]+ 366.31150 208.2
[M+K]+ 387.24084 193.0
[M+H-H2O]+ 331.27494 185.7
[M+HCOO]- 393.27588 218.3
[M+CH3COO]- 407.29153 221.7
[M+Na-2H]- 369.25235 194.9
[M]+ 348.27713 201.2
[M]- 348.27823 201.2
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.