CID 4249451

477334-24-0

Structural Information

Molecular Formula
C18H20FNO
SMILES
CC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C18H20FNO/c1-13(2)14-5-9-17(10-6-14)20-12-11-18(21)15-3-7-16(19)8-4-15/h3-10,13,20H,11-12H2,1-2H3
InChIKey
BBBWJMAGFFSLCI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1529 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16018 167.7
[M+Na]+ 308.14212 173.3
[M-H]- 284.14562 172.7
[M+NH4]+ 303.18672 182.9
[M+K]+ 324.11606 168.9
[M+H-H2O]+ 268.15016 158.7
[M+HCOO]- 330.15110 189.0
[M+CH3COO]- 344.16675 206.8
[M+Na-2H]- 306.12757 169.4
[M]+ 285.15235 166.6
[M]- 285.15345 166.6
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.