CID 106066

Acetamide, n-[3-[(2-cyanoethyl)ethylamino]-4-ethoxyphenyl]-

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CCN(CCC#N)C1=C(C=CC(=C1)NC(=O)C)OCC
InChI
InChI=1S/C15H21N3O2/c1-4-18(10-6-9-16)14-11-13(17-12(3)19)7-8-15(14)20-5-2/h7-8,11H,4-6,10H2,1-3H3,(H,17,19)
InChIKey
JDOMEWCDWXXVNR-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(ethyl)amino]-4-ethoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 166.7
[M+Na]+ 298.15262 173.6
[M-H]- 274.15612 170.5
[M+NH4]+ 293.19722 181.2
[M+K]+ 314.12656 171.9
[M+H-H2O]+ 258.16066 152.5
[M+HCOO]- 320.16160 187.4
[M+CH3COO]- 334.17725 219.0
[M+Na-2H]- 296.13807 168.4
[M]+ 275.16285 164.9
[M]- 275.16395 164.9
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.