CID 3331102

882748-59-6

Structural Information

Molecular Formula
C22H20FNO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)F
InChI
InChI=1S/C22H20FNO/c1-16-7-12-20(15-21(16)23)24-14-13-22(25)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-12,15,24H,13-14H2,1H3
InChIKey
WMTHWPIUSJZOEP-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-methylanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1529 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.160176 180.1
[M+Na]+ 356.142118 186.4
[M-H]- 332.145624 188.2
[M+NH4]+ 351.186723 193.0
[M+K]+ 372.116058 180.0
[M+H-H2O]+ 316.150160 169.5
[M+HCOO]- 378.151101 202.3
[M+CH3COO]- 392.166751 214.9
[M+Na-2H]- 354.127566 182.6
[M]+ 333.15235142 178.7
[M]- 333.15344858 178.7
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.