CID 19154

X-100

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)CCN(C)C
InChI
InChI=1S/C25H36N2O2/c1-6-21(7-2)20-29-25(22-14-10-8-11-15-22,23-16-12-9-13-17-23)24(28)27(5)19-18-26(3)4/h8-17,21H,6-7,18-20H2,1-5H3
InChIKey
VNQIFVJQDABIJA-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-(2-ethylbutoxy)-N-methyl-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

396.27768 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 202.1
[M+Na]+ 419.26690 211.5
[M+NH4]+ 414.31150 208.3
[M+K]+ 435.24084 204.9
[M-H]- 395.27040 206.5
[M+Na-2H]- 417.25235 209.0
[M]+ 396.27713 204.6
[M]- 396.27823 204.6
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.