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 173.8
[M+Na]+ 318.18282 178.4
[M-H]- 294.18632 179.8
[M+NH4]+ 313.22742 188.6
[M+K]+ 334.15676 174.0
[M+H-H2O]+ 278.19086 165.4
[M+HCOO]- 340.19180 195.5
[M+CH3COO]- 354.20745 210.1
[M+Na-2H]- 316.16827 175.0
[M]+ 295.19305 174.5
[M]- 295.19415 174.5
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.