CID 4412741

882748-72-3

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C22H27NO/c1-17-7-9-20(10-8-17)22(24)15-16-23-21-13-11-19(12-14-21)18-5-3-2-4-6-18/h7-14,18,23H,2-6,15-16H2,1H3
InChIKey
VRGMUXPGARLWQW-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 182.0
[M+Na]+ 344.19848 195.3
[M+NH4]+ 339.24308 190.9
[M+K]+ 360.17242 185.7
[M-H]- 320.20198 189.6
[M+Na-2H]- 342.18393 191.4
[M]+ 321.20871 186.1
[M]- 321.20981 186.1
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.