CID 108703

55379-84-5

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCO
InChI
InChI=1S/C13H17N3O2/c1-11(18)15-12-4-2-5-13(10-12)16(8-9-17)7-3-6-14/h2,4-5,10,17H,3,7-9H2,1H3,(H,15,18)
InChIKey
ITCQFSOCCFSHHU-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

247.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 160.9
[M+Na]+ 270.12130 169.6
[M+NH4]+ 265.16590 163.9
[M+K]+ 286.09524 161.2
[M-H]- 246.12480 155.3
[M+Na-2H]- 268.10675 162.9
[M]+ 247.13153 159.4
[M]- 247.13263 159.4
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