CID 1583955

N-((4-fluorophenyl)(pentanoylamino)methyl)pentanamide

Structural Information

Molecular Formula
C17H25FN2O2
SMILES
CCCCC(=O)NC(C1=CC=C(C=C1)F)NC(=O)CCCC
InChI
InChI=1S/C17H25FN2O2/c1-3-5-7-15(21)19-17(20-16(22)8-6-4-2)13-9-11-14(18)12-10-13/h9-12,17H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
LXHZEVUGSOCENZ-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)-(pentanoylamino)methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.19 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19728 176.8
[M+Na]+ 331.17922 179.8
[M-H]- 307.18272 177.9
[M+NH4]+ 326.22382 190.8
[M+K]+ 347.15316 176.9
[M+H-H2O]+ 291.18726 168.0
[M+HCOO]- 353.18820 197.5
[M+CH3COO]- 367.20385 212.7
[M+Na-2H]- 329.16467 176.2
[M]+ 308.18945 176.7
[M]- 308.19055 176.7
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.