CID 3340637

882748-29-0

Structural Information

Molecular Formula
C20H25NO
SMILES
CCC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C20H25NO/c1-4-16(3)17-9-11-19(12-10-17)21-14-13-20(22)18-7-5-15(2)6-8-18/h5-12,16,21H,4,13-14H2,1-3H3
InChIKey
NCFMFEUNZSMNEE-UHFFFAOYSA-N
Compound name
3-(4-butan-2-ylanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 174.6
[M+Na]+ 318.18282 187.7
[M+NH4]+ 313.22742 182.6
[M+K]+ 334.15676 179.3
[M-H]- 294.18632 179.7
[M+Na-2H]- 316.16827 182.7
[M]+ 295.19305 177.9
[M]- 295.19415 177.9
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.