CID 109850

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

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 187.5
[M+Na]+ 411.20028 193.1
[M-H]- 387.20378 190.3
[M+NH4]+ 406.24488 194.7
[M+K]+ 427.17422 191.4
[M+H-H2O]+ 371.20832 170.2
[M+HCOO]- 433.20926 199.8
[M+CH3COO]- 447.22491 245.3
[M+Na-2H]- 409.18573 186.1
[M]+ 388.21051 184.3
[M]- 388.21161 184.3
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.