CID 3057142

73962-25-1

Structural Information

Molecular Formula
C24H27FN2O3
SMILES
COCOC1=CC=CC=C1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C#N
InChI
InChI=1S/C24H27FN2O3/c1-29-18-30-23-7-3-2-5-21(23)24(17-26)12-15-27(16-13-24)14-4-6-22(28)19-8-10-20(25)11-9-19/h2-3,5,7-11H,4,6,12-16,18H2,1H3
InChIKey
UWAXNZMBFPUESD-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-[2-(methoxymethoxy)phenyl]piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.20056 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20784 200.4
[M+Na]+ 433.18978 212.0
[M+NH4]+ 428.23438 204.0
[M+K]+ 449.16372 198.8
[M-H]- 409.19328 196.0
[M+Na-2H]- 431.17523 205.1
[M]+ 410.20001 200.0
[M]- 410.20111 200.0
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.