CID 215145

Benzenepentanamide, n,n-diethyl-alpha-phenyl-

Structural Information

Molecular Formula
C21H27NO
SMILES
CCN(CC)C(=O)C(CCCC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO/c1-3-22(4-2)21(23)20(19-15-9-6-10-16-19)17-11-14-18-12-7-5-8-13-18/h5-10,12-13,15-16,20H,3-4,11,14,17H2,1-2H3
InChIKey
IDGOHNMWHJYCIB-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,5-diphenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 179.5
[M+Na]+ 332.198478 182.0
[M-H]- 308.201984 186.0
[M+NH4]+ 327.243083 193.8
[M+K]+ 348.172418 178.7
[M+H-H2O]+ 292.206520 170.3
[M+HCOO]- 354.207461 201.4
[M+CH3COO]- 368.223111 213.5
[M+Na-2H]- 330.183926 180.8
[M]+ 309.20871142 180.9
[M]- 309.20980858 180.9
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.