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]+ 292.16558 169.6
[M+Na]+ 314.14752 176.0
[M-H]- 290.15102 172.1
[M+NH4]+ 309.19212 182.8
[M+K]+ 330.12146 174.3
[M+H-H2O]+ 274.15556 155.6
[M+HCOO]- 336.15650 189.2
[M+CH3COO]- 350.17215 218.7
[M+Na-2H]- 312.13297 171.0
[M]+ 291.15775 167.4
[M]- 291.15885 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