CID 3555461

882748-27-8

Structural Information

Molecular Formula
C19H22FNO
SMILES
CCC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H22FNO/c1-3-14(2)15-6-10-18(11-7-15)21-13-12-19(22)16-4-8-17(20)9-5-16/h4-11,14,21H,3,12-13H2,1-2H3
InChIKey
TZSKLNUXUMFQGA-UHFFFAOYSA-N
Compound name
3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.16855 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17583 172.3
[M+Na]+ 322.15777 177.5
[M-H]- 298.16127 177.1
[M+NH4]+ 317.20237 186.9
[M+K]+ 338.13171 172.8
[M+H-H2O]+ 282.16581 163.1
[M+HCOO]- 344.16675 193.3
[M+CH3COO]- 358.18240 209.7
[M+Na-2H]- 320.14322 173.5
[M]+ 299.16800 171.6
[M]- 299.16910 171.6
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.