CID 5160690

477334-36-4

Structural Information

Molecular Formula
C17H16FNO3
SMILES
C1COC2=C(O1)C=CC(=C2)NCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H16FNO3/c18-13-3-1-12(2-4-13)15(20)7-8-19-14-5-6-16-17(11-14)22-10-9-21-16/h1-6,11,19H,7-10H2
InChIKey
NYRBSVWSMHMJMM-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11142 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11870 170.6
[M+Na]+ 324.10064 183.5
[M+NH4]+ 319.14524 178.2
[M+K]+ 340.07458 176.4
[M-H]- 300.10414 176.8
[M+Na-2H]- 322.08609 176.5
[M]+ 301.11087 174.1
[M]- 301.11197 174.1
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.