CID 45054565

N-(2-(2-(3-fluorobenzylidene)hydrazino)-2-oxoethyl)tetradecanamide

Structural Information

Molecular Formula
C23H36FN3O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=CC=C1)F
InChI
InChI=1S/C23H36FN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(28)25-19-23(29)27-26-18-20-14-13-15-21(24)17-20/h13-15,17-18H,2-12,16,19H2,1H3,(H,25,28)(H,27,29)/b26-18+
InChIKey
LXOIZBOZSJUOMG-NLRVBDNBSA-N
Compound name
N-[2-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.27914 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.28642 204.8
[M+Na]+ 428.26836 205.2
[M-H]- 404.27186 205.9
[M+NH4]+ 423.31296 215.1
[M+K]+ 444.24230 200.7
[M+H-H2O]+ 388.27640 193.9
[M+HCOO]- 450.27734 227.1
[M+CH3COO]- 464.29299 235.9
[M+Na-2H]- 426.25381 203.2
[M]+ 405.27859 207.7
[M]- 405.27969 207.7
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.