CID 43401005

2-{[1-(2,4-difluorophenyl)ethyl]amino}-n-ethylacetamide

Structural Information

Molecular Formula
C12H16F2N2O
SMILES
CCNC(=O)CNC(C)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)
InChIKey
MBDHDPFJMNIJOR-UHFFFAOYSA-N
Compound name
2-[1-(2,4-difluorophenyl)ethylamino]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13034 153.9
[M+Na]+ 265.11228 160.0
[M-H]- 241.11578 154.8
[M+NH4]+ 260.15688 171.0
[M+K]+ 281.08622 157.3
[M+H-H2O]+ 225.12032 145.4
[M+HCOO]- 287.12126 175.7
[M+CH3COO]- 301.13691 200.2
[M+Na-2H]- 263.09773 155.8
[M]+ 242.12251 151.2
[M]- 242.12361 151.2
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.