CID 106199

N-[3-[(2-cyanoethyl)methylamino]-4-methoxyphenyl]acetamide

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)N(C)CCC#N
InChI
InChI=1S/C13H17N3O2/c1-10(17)15-11-5-6-13(18-3)12(9-11)16(2)8-4-7-14/h5-6,9H,4,8H2,1-3H3,(H,15,17)
InChIKey
YQSUXMCLIUGHKF-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(methyl)amino]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 158.8
[M+Na]+ 270.12130 166.5
[M-H]- 246.12480 162.9
[M+NH4]+ 265.16590 174.3
[M+K]+ 286.09524 165.2
[M+H-H2O]+ 230.12934 145.0
[M+HCOO]- 292.13028 180.1
[M+CH3COO]- 306.14593 213.6
[M+Na-2H]- 268.10675 161.4
[M]+ 247.13153 156.4
[M]- 247.13263 156.4
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

No patent data available for this compound.