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 179.6
[M+Na]+ 344.19848 181.7
[M-H]- 320.20198 187.5
[M+NH4]+ 339.24308 192.5
[M+K]+ 360.17242 176.3
[M+H-H2O]+ 304.20652 169.8
[M+HCOO]- 366.20746 198.6
[M+CH3COO]- 380.22311 212.1
[M+Na-2H]- 342.18393 180.5
[M]+ 321.20871 174.5
[M]- 321.20981 174.5
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.