CID 26745

3-acetamido-3-(p-anisyl)-1,1-diphenyl-1-propanol

Structural Information

Molecular Formula
C24H25NO3
SMILES
CC(=O)NC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H25NO3/c1-18(26)25-23(19-13-15-22(28-2)16-14-19)17-24(27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23,27H,17H2,1-2H3,(H,25,26)
InChIKey
VNQYRAUPXUHXOA-UHFFFAOYSA-N
Compound name
N-[3-hydroxy-1-(4-methoxyphenyl)-3,3-diphenylpropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.18344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19072 191.6
[M+Na]+ 398.17266 194.3
[M-H]- 374.17616 198.9
[M+NH4]+ 393.21726 201.3
[M+K]+ 414.14660 189.8
[M+H-H2O]+ 358.18070 181.9
[M+HCOO]- 420.18164 210.4
[M+CH3COO]- 434.19729 218.3
[M+Na-2H]- 396.15811 194.6
[M]+ 375.18289 190.8
[M]- 375.18399 190.8
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.