CID 12910

Brn 2698825

Structural Information

Molecular Formula
C16H25FN2O
SMILES
CCC1=CC(=C(C=C1)F)NC(=O)CCCN(CC)CC
InChI
InChI=1S/C16H25FN2O/c1-4-13-9-10-14(17)15(12-13)18-16(20)8-7-11-19(5-2)6-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,20)
InChIKey
ODHBQAIPEVWZLU-UHFFFAOYSA-N
Compound name
4-(diethylamino)-N-(5-ethyl-2-fluorophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1951 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20238 169.5
[M+Na]+ 303.18432 174.3
[M-H]- 279.18782 172.5
[M+NH4]+ 298.22892 185.9
[M+K]+ 319.15826 172.0
[M+H-H2O]+ 263.19236 160.9
[M+HCOO]- 325.19330 192.6
[M+CH3COO]- 339.20895 212.0
[M+Na-2H]- 301.16977 170.4
[M]+ 280.19455 171.3
[M]- 280.19565 171.3
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.