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]+ 276.170676 169.5
[M+Na]+ 298.152618 175.0
[M-H]- 274.156124 171.8
[M+NH4]+ 293.197223 183.1
[M+K]+ 314.126558 173.0
[M+H-H2O]+ 258.160660 155.5
[M+HCOO]- 320.161601 188.0
[M+CH3COO]- 334.177251 216.5
[M+Na-2H]- 296.138066 170.1
[M]+ 275.16285142 165.1
[M]- 275.16394858 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.