CID 172213

Propanamide, n-[3-[[2-(2-cyanoethoxy)ethyl]amino]-4-methoxyphenyl]-

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
2
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]+ 292.165576 167.8
[M+Na]+ 314.147518 174.5
[M-H]- 290.151024 170.3
[M+NH4]+ 309.192123 181.1
[M+K]+ 330.121458 172.2
[M+H-H2O]+ 274.155560 153.7
[M+HCOO]- 336.156501 188.4
[M+CH3COO]- 350.172151 217.9
[M+Na-2H]- 312.132966 170.4
[M]+ 291.15775142 166.2
[M]- 291.15884858 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.