CID 89780

Acetamide, n-(3-((2-cyanoethyl)(2-hydroxyethyl)amino)-4-ethoxyphenyl)-

Structural Information

Molecular Formula
C15H21N3O3
SMILES
CCOC1=C(C=C(C=C1)NC(=O)C)N(CCC#N)CCO
InChI
InChI=1S/C15H21N3O3/c1-3-21-15-6-5-13(17-12(2)20)11-14(15)18(9-10-19)8-4-7-16/h5-6,11,19H,3-4,8-10H2,1-2H3,(H,17,20)
InChIKey
RMCDTZNXPUSKTQ-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]-4-ethoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.1583 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.165576 169.6
[M+Na]+ 314.147518 176.0
[M-H]- 290.151024 172.1
[M+NH4]+ 309.192123 182.8
[M+K]+ 330.121458 174.3
[M+H-H2O]+ 274.155560 155.6
[M+HCOO]- 336.156501 189.2
[M+CH3COO]- 350.172151 218.7
[M+Na-2H]- 312.132966 171.0
[M]+ 291.15775142 167.4
[M]- 291.15884858 167.4
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

patents stripe