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]+ 334.16018 180.1
[M+Na]+ 356.14212 186.4
[M-H]- 332.14562 188.2
[M+NH4]+ 351.18672 193.0
[M+K]+ 372.11606 180.0
[M+H-H2O]+ 316.15016 169.5
[M+HCOO]- 378.15110 202.3
[M+CH3COO]- 392.16675 214.9
[M+Na-2H]- 354.12757 182.6
[M]+ 333.15235 178.7
[M]- 333.15345 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.