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]+ 296.200876 173.8
[M+Na]+ 318.182818 178.4
[M-H]- 294.186324 179.8
[M+NH4]+ 313.227423 188.6
[M+K]+ 334.156758 174.0
[M+H-H2O]+ 278.190860 165.4
[M+HCOO]- 340.191801 195.5
[M+CH3COO]- 354.207451 210.1
[M+Na-2H]- 316.168266 175.0
[M]+ 295.19305142 174.5
[M]- 295.19414858 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.