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]+ 332.20088 182.6
[M+Na]+ 354.18282 187.1
[M-H]- 330.18632 189.0
[M+NH4]+ 349.22742 196.5
[M+K]+ 370.15676 181.4
[M+H-H2O]+ 314.19086 173.4
[M+HCOO]- 376.19180 202.9
[M+CH3COO]- 390.20745 216.6
[M+Na-2H]- 352.16827 185.4
[M]+ 331.19305 182.8
[M]- 331.19415 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.