CID 26747

N-ethyl-n-(3-hydroxy-1,3,3-triphenylpropyl)acetamide

Structural Information

Molecular Formula
C25H27NO2
SMILES
CCN(C(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C25H27NO2/c1-3-26(20(2)27)24(21-13-7-4-8-14-21)19-25(28,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24,28H,3,19H2,1-2H3
InChIKey
IWVHEAPNZYLYDY-UHFFFAOYSA-N
Compound name
N-ethyl-N-(3-hydroxy-1,3,3-triphenylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21148 192.7
[M+Na]+ 396.19342 194.4
[M-H]- 372.19692 200.9
[M+NH4]+ 391.23802 202.9
[M+K]+ 412.16736 190.2
[M+H-H2O]+ 356.20146 182.8
[M+HCOO]- 418.20240 211.5
[M+CH3COO]- 432.21805 221.1
[M+Na-2H]- 394.17887 195.1
[M]+ 373.20365 191.7
[M]- 373.20475 191.7
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.