CID 88059

Acetamide, n-[3-[(2-cyanoethyl)ethylamino]-4-methoxyphenyl]-

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CCN(CCC#N)C1=C(C=CC(=C1)NC(=O)C)OC
InChI
InChI=1S/C14H19N3O2/c1-4-17(9-5-8-15)13-10-12(16-11(2)18)6-7-14(13)19-3/h6-7,10H,4-5,9H2,1-3H3,(H,16,18)
InChIKey
GMJYHCWSTTTWRT-UHFFFAOYSA-N
Compound name
N-[3-[2-cyanoethyl(ethyl)amino]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

261.14774 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 162.7
[M+Na]+ 284.13696 170.1
[M-H]- 260.14046 166.7
[M+NH4]+ 279.18156 177.8
[M+K]+ 300.11090 168.6
[M+H-H2O]+ 244.14500 148.8
[M+HCOO]- 306.14594 183.8
[M+CH3COO]- 320.16159 216.3
[M+Na-2H]- 282.12241 164.9
[M]+ 261.14719 160.6
[M]- 261.14829 160.6
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