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]+ 358.216536 187.3
[M+Na]+ 380.198478 189.3
[M-H]- 356.201984 195.6
[M+NH4]+ 375.243083 199.3
[M+K]+ 396.172418 182.7
[M+H-H2O]+ 340.206520 176.7
[M+HCOO]- 402.207461 204.8
[M+CH3COO]- 416.223111 195.4
[M+Na-2H]- 378.183926 189.7
[M]+ 357.20871142 181.7
[M]- 357.20980858 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.