CID 4059242

882748-24-5

Structural Information

Molecular Formula
C25H27NO
SMILES
CCC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H27NO/c1-3-19(2)20-13-15-24(16-14-20)26-18-17-25(27)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-16,19,26H,3,17-18H2,1-2H3
InChIKey
RMPNEASBZUDPGV-UHFFFAOYSA-N
Compound name
3-(4-butan-2-ylanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20926 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.216536 190.5
[M+Na]+ 380.198478 194.0
[M-H]- 356.201984 199.0
[M+NH4]+ 375.243083 201.9
[M+K]+ 396.172418 187.9
[M+H-H2O]+ 340.206520 180.2
[M+HCOO]- 402.207461 211.6
[M+CH3COO]- 416.223111 220.8
[M+Na-2H]- 378.183926 191.5
[M]+ 357.20871142 190.0
[M]- 357.20980858 190.0
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.