CID 57316

97805-03-3

Structural Information

Molecular Formula
C23H23FN2O
SMILES
C1CN(CCC1=C(C#N)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H23FN2O/c24-21-10-8-20(9-11-21)23(27)7-4-14-26-15-12-19(13-16-26)22(17-25)18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-16H2
InChIKey
PXRGLUQLGPUMNE-UHFFFAOYSA-N
Compound name
2-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-ylidene]-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.17944 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18672 189.8
[M+Na]+ 385.16866 195.5
[M-H]- 361.17216 192.9
[M+NH4]+ 380.21326 198.3
[M+K]+ 401.14260 186.3
[M+H-H2O]+ 345.17670 172.1
[M+HCOO]- 407.17764 201.1
[M+CH3COO]- 421.19329 224.5
[M+Na-2H]- 383.15411 187.7
[M]+ 362.17889 178.8
[M]- 362.17999 178.8
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.