CID 172213

68540-98-7

Structural Information

Molecular Formula
C15H21N3O3
SMILES
CCC(=O)NC1=CC(=C(C=C1)OC)NCCOCCC#N
InChI
InChI=1S/C15H21N3O3/c1-3-15(19)18-12-5-6-14(20-2)13(11-12)17-8-10-21-9-4-7-16/h5-6,11,17H,3-4,8-10H2,1-2H3,(H,18,19)
InChIKey
CJDQTKFXDAUJHA-UHFFFAOYSA-N
Compound name
N-[3-[2-(2-cyanoethoxy)ethylamino]-4-methoxyphenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1583 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16558 170.4
[M+Na]+ 314.14752 178.9
[M+NH4]+ 309.19212 172.7
[M+K]+ 330.12146 170.1
[M-H]- 290.15102 164.5
[M+Na-2H]- 312.13297 171.7
[M]+ 291.15775 168.8
[M]- 291.15885 168.8
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.