CID 30666

21492-45-5

Structural Information

Molecular Formula
C21H24FNO3
SMILES
COC1=CC=CC=C1OC2CCN(C2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H24FNO3/c1-25-20-6-2-3-7-21(20)26-18-12-14-23(15-18)13-4-5-19(24)16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
InChIKey
DBSZFOMWGPKWPJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.174 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18128 188.9
[M+Na]+ 380.16322 200.5
[M+NH4]+ 375.20782 195.3
[M+K]+ 396.13716 194.5
[M-H]- 356.16672 192.0
[M+Na-2H]- 378.14867 195.2
[M]+ 357.17345 191.3
[M]- 357.17455 191.3
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.