CID 3439607

882748-69-8

Structural Information

Molecular Formula
C21H24FNO
SMILES
C1CCC(CC1)C2=CC=C(C=C2)NCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H24FNO/c22-19-10-6-18(7-11-19)21(24)14-15-23-20-12-8-17(9-13-20)16-4-2-1-3-5-16/h6-13,16,23H,1-5,14-15H2
InChIKey
YZUJGGJOGVAPMD-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylanilino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1842 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19148 178.4
[M+Na]+ 348.17342 181.1
[M-H]- 324.17692 185.1
[M+NH4]+ 343.21802 191.1
[M+K]+ 364.14736 175.4
[M+H-H2O]+ 308.18146 167.9
[M+HCOO]- 370.18240 196.7
[M+CH3COO]- 384.19805 211.8
[M+Na-2H]- 346.15887 179.2
[M]+ 325.18365 172.0
[M]- 325.18475 172.0
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.