CID 4094421

882748-73-4

Structural Information

Molecular Formula
C25H27NO
SMILES
C1CCC(CC1)C2=CC=C(C=C2)NCCC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C25H27NO/c27-25(23-11-10-20-8-4-5-9-22(20)18-23)16-17-26-24-14-12-21(13-15-24)19-6-2-1-3-7-19/h4-5,8-15,18-19,26H,1-3,6-7,16-17H2
InChIKey
IKDUQHGLSNQVAV-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20926 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21654 187.3
[M+Na]+ 380.19848 189.3
[M-H]- 356.20198 195.6
[M+NH4]+ 375.24308 199.3
[M+K]+ 396.17242 182.7
[M+H-H2O]+ 340.20652 176.7
[M+HCOO]- 402.20746 204.8
[M+CH3COO]- 416.22311 195.4
[M+Na-2H]- 378.18393 189.7
[M]+ 357.20871 181.7
[M]- 357.20981 181.7
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.