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]+ 322.216536 179.6
[M+Na]+ 344.198478 181.7
[M-H]- 320.201984 187.5
[M+NH4]+ 339.243083 192.5
[M+K]+ 360.172418 176.3
[M+H-H2O]+ 304.206520 169.8
[M+HCOO]- 366.207461 198.6
[M+CH3COO]- 380.223111 212.1
[M+Na-2H]- 342.183926 180.5
[M]+ 321.20871142 174.5
[M]- 321.20980858 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.