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
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 167.8
[M+Na]+ 314.14752 174.5
[M-H]- 290.15102 170.3
[M+NH4]+ 309.19212 181.1
[M+K]+ 330.12146 172.2
[M+H-H2O]+ 274.15556 153.7
[M+HCOO]- 336.15650 188.4
[M+CH3COO]- 350.17215 217.9
[M+Na-2H]- 312.13297 170.4
[M]+ 291.15775 166.2
[M]- 291.15885 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.