CID 4138735

2,3,4-triphenylbutyramide

Structural Information

Molecular Formula
C22H21NO
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C22H21NO/c23-22(24)21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-15,20-21H,16H2,(H2,23,24)
InChIKey
CQNVIGGYUXKNSD-UHFFFAOYSA-N
Compound name
2,3,4-triphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16232 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16960 177.5
[M+Na]+ 338.15154 180.2
[M-H]- 314.15504 185.4
[M+NH4]+ 333.19614 189.7
[M+K]+ 354.12548 174.9
[M+H-H2O]+ 298.15958 167.8
[M+HCOO]- 360.16052 198.1
[M+CH3COO]- 374.17617 210.0
[M+Na-2H]- 336.13699 179.5
[M]+ 315.16177 173.7
[M]- 315.16287 173.7
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.