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 203.4
[M+Na]+ 419.26690 203.7
[M-H]- 395.27040 210.8
[M+NH4]+ 414.31150 214.4
[M+K]+ 435.24084 202.2
[M+H-H2O]+ 379.27494 193.3
[M+HCOO]- 441.27588 224.0
[M+CH3COO]- 455.29153 235.9
[M+Na-2H]- 417.25235 203.3
[M]+ 396.27713 207.7
[M]- 396.27823 207.7
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.