CID 24208935

N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)propanamide

Structural Information

Molecular Formula
C17H18FNO
SMILES
CC1=CC(=C(C=C1)NC(=O)CCC2=CC(=CC=C2)F)C
InChI
InChI=1S/C17H18FNO/c1-12-6-8-16(13(2)10-12)19-17(20)9-7-14-4-3-5-15(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChIKey
WQHUNKGMUAPZNV-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13724 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14452 162.8
[M+Na]+ 294.12646 170.2
[M-H]- 270.12996 168.4
[M+NH4]+ 289.17106 179.1
[M+K]+ 310.10040 165.6
[M+H-H2O]+ 254.13450 154.2
[M+HCOO]- 316.13544 185.6
[M+CH3COO]- 330.15109 203.4
[M+Na-2H]- 292.11191 165.6
[M]+ 271.13669 162.3
[M]- 271.13779 162.3
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.