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]+ 411.207836 197.7
[M+Na]+ 433.189778 204.6
[M-H]- 409.193284 201.4
[M+NH4]+ 428.234383 206.6
[M+K]+ 449.163718 196.7
[M+H-H2O]+ 393.197820 180.0
[M+HCOO]- 455.198761 210.0
[M+CH3COO]- 469.214411 231.9
[M+Na-2H]- 431.175226 197.0
[M]+ 410.20001142 191.6
[M]- 410.20110858 191.6
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.