CID 3357960

882748-30-3

Structural Information

Molecular Formula
C23H25NO
SMILES
CCC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C23H25NO/c1-3-17(2)18-10-12-22(13-11-18)24-15-14-23(25)21-9-8-19-6-4-5-7-20(19)16-21/h4-13,16-17,24H,3,14-15H2,1-2H3
InChIKey
RDTZJCQGPQLPTB-UHFFFAOYSA-N
Compound name
3-(4-butan-2-ylanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1936 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.200876 182.6
[M+Na]+ 354.182818 187.1
[M-H]- 330.186324 189.0
[M+NH4]+ 349.227423 196.5
[M+K]+ 370.156758 181.4
[M+H-H2O]+ 314.190860 173.4
[M+HCOO]- 376.191801 202.9
[M+CH3COO]- 390.207451 216.6
[M+Na-2H]- 352.168266 185.4
[M]+ 331.19305142 182.8
[M]- 331.19414858 182.8
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.