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 197.7
[M+Na]+ 433.18978 204.6
[M-H]- 409.19328 201.4
[M+NH4]+ 428.23438 206.6
[M+K]+ 449.16372 196.7
[M+H-H2O]+ 393.19782 180.0
[M+HCOO]- 455.19876 210.0
[M+CH3COO]- 469.21441 231.9
[M+Na-2H]- 431.17523 197.0
[M]+ 410.20001 191.6
[M]- 410.20111 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.