CID 109850

68227-76-9

Structural Information

Molecular Formula
C20H28N4O4
SMILES
CCC(=O)NC1=CC(=C(C=C1)OC)N(CCOCCC#N)CCOCCC#N
InChI
InChI=1S/C20H28N4O4/c1-3-20(25)23-17-6-7-19(26-2)18(16-17)24(10-14-27-12-4-8-21)11-15-28-13-5-9-22/h6-7,16H,3-5,10-15H2,1-2H3,(H,23,25)
InChIKey
OSRSOGDOPCRKNP-UHFFFAOYSA-N
Compound name
N-[3-[bis[2-(2-cyanoethoxy)ethyl]amino]-4-methoxyphenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.21106 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21834 204.9
[M+Na]+ 411.20028 210.3
[M+NH4]+ 406.24488 203.0
[M+K]+ 427.17422 200.0
[M-H]- 387.20378 194.3
[M+Na-2H]- 409.18573 201.4
[M]+ 388.21051 201.2
[M]- 388.21161 201.2
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.