CID 103472

Acetamide, n-[3-[(2-cyanoethyl)(2-hydroxybutyl)amino]phenyl]-

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CCC(CN(CCC#N)C1=CC=CC(=C1)NC(=O)C)O
InChI
InChI=1S/C15H21N3O2/c1-3-15(20)11-18(9-5-8-16)14-7-4-6-13(10-14)17-12(2)19/h4,6-7,10,15,20H,3,5,9,11H2,1-2H3,(H,17,19)
InChIKey
CCLQOFGQFQXZOF-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(2-hydroxybutyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 169.5
[M+Na]+ 298.15262 175.0
[M-H]- 274.15612 171.8
[M+NH4]+ 293.19722 183.1
[M+K]+ 314.12656 173.0
[M+H-H2O]+ 258.16066 155.5
[M+HCOO]- 320.16160 188.0
[M+CH3COO]- 334.17725 216.5
[M+Na-2H]- 296.13807 170.1
[M]+ 275.16285 165.1
[M]- 275.16395 165.1
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.