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 168.7
[M+Na]+ 324.10064 174.5
[M-H]- 300.10414 175.6
[M+NH4]+ 319.14524 181.3
[M+K]+ 340.07458 172.7
[M+H-H2O]+ 284.10868 159.3
[M+HCOO]- 346.10962 186.8
[M+CH3COO]- 360.12527 205.9
[M+Na-2H]- 322.08609 174.8
[M]+ 301.11087 167.9
[M]- 301.11197 167.9
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.