CID 125410

1-(n-diphenylacetamido)-2-butanol

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCC(CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C18H21NO2/c1-2-16(20)13-19-18(21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,20H,2,13H2,1H3,(H,19,21)
InChIKey
KRWSLCYLYQEVCL-UHFFFAOYSA-N
Compound name
N-(2-hydroxybutyl)-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 169.0
[M+Na]+ 306.14645 171.8
[M-H]- 282.14995 173.3
[M+NH4]+ 301.19105 182.9
[M+K]+ 322.12039 168.1
[M+H-H2O]+ 266.15449 160.8
[M+HCOO]- 328.15543 189.1
[M+CH3COO]- 342.17108 201.6
[M+Na-2H]- 304.13190 171.1
[M]+ 283.15668 167.0
[M]- 283.15778 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.