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]+ 316.169596 177.5
[M+Na]+ 338.151538 180.2
[M-H]- 314.155044 185.4
[M+NH4]+ 333.196143 189.7
[M+K]+ 354.125478 174.9
[M+H-H2O]+ 298.159580 167.8
[M+HCOO]- 360.160521 198.1
[M+CH3COO]- 374.176171 210.0
[M+Na-2H]- 336.136986 179.5
[M]+ 315.16177142 173.7
[M]- 315.16286858 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.