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 185.6
[M+Na]+ 380.16322 190.7
[M-H]- 356.16672 192.0
[M+NH4]+ 375.20782 198.2
[M+K]+ 396.13716 186.2
[M+H-H2O]+ 340.17126 175.0
[M+HCOO]- 402.17220 204.2
[M+CH3COO]- 416.18785 214.1
[M+Na-2H]- 378.14867 183.7
[M]+ 357.17345 185.9
[M]- 357.17455 185.9
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.