CID 103472

65059-83-8

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 168.7
[M+Na]+ 298.15262 176.7
[M+NH4]+ 293.19722 171.3
[M+K]+ 314.12656 168.6
[M-H]- 274.15612 162.8
[M+Na-2H]- 296.13807 169.9
[M]+ 275.16285 167.0
[M]- 275.16395 167.0
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.