CID 4688444

882748-55-2

Structural Information

Molecular Formula
C17H18FNO2
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)OC)F
InChI
InChI=1S/C17H18FNO2/c1-12-3-6-14(11-16(12)18)19-10-9-17(20)13-4-7-15(21-2)8-5-13/h3-8,11,19H,9-10H2,1-2H3
InChIKey
MJINAIIDIZKLPL-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-methylanilino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.13217 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13945 165.9
[M+Na]+ 310.12139 173.1
[M-H]- 286.12489 171.4
[M+NH4]+ 305.16599 181.4
[M+K]+ 326.09533 169.1
[M+H-H2O]+ 270.12943 157.0
[M+HCOO]- 332.13037 188.9
[M+CH3COO]- 346.14602 206.2
[M+Na-2H]- 308.10684 168.7
[M]+ 287.13162 167.0
[M]- 287.13272 167.0
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.