CID 72023225

Chembl4555911

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CC(=O)NC1=CC(=CC=C1)OCCNC2=CC=CC=N2
InChI
InChI=1S/C15H17N3O2/c1-12(19)18-13-5-4-6-14(11-13)20-10-9-17-15-7-2-3-8-16-15/h2-8,11H,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKey
ASJQCAMLFOWZIQ-UHFFFAOYSA-N
Compound name
N-[3-[2-(pyridin-2-ylamino)ethoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 163.5
[M+Na]+ 294.12130 175.5
[M+NH4]+ 289.16590 170.5
[M+K]+ 310.09524 168.5
[M-H]- 270.12480 167.7
[M+Na-2H]- 292.10675 172.2
[M]+ 271.13153 166.2
[M]- 271.13263 166.2
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.