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]+ 276.170676 166.7
[M+Na]+ 298.152618 173.6
[M-H]- 274.156124 170.5
[M+NH4]+ 293.197223 181.2
[M+K]+ 314.126558 171.9
[M+H-H2O]+ 258.160660 152.5
[M+HCOO]- 320.161601 187.4
[M+CH3COO]- 334.177251 219.0
[M+Na-2H]- 296.138066 168.4
[M]+ 275.16285142 164.9
[M]- 275.16394858 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.