CID 3087014

Brn 4273645

Structural Information

Molecular Formula
C22H25ClN4O3
SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)C#N)Cl)N
InChI
InChI=1S/C22H25ClN4O3/c1-2-29-21-10-20(25)19(23)9-18(21)22(28)26-12-17-14-27(7-8-30-17)13-16-5-3-15(11-24)4-6-16/h3-6,9-10,17H,2,7-8,12-14,25H2,1H3,(H,26,28)
InChIKey
ZBGVGPPNOOBVQH-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[[4-[(4-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.16153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.16881 205.7
[M+Na]+ 451.15075 217.2
[M+NH4]+ 446.19535 208.2
[M+K]+ 467.12469 206.7
[M-H]- 427.15425 204.6
[M+Na-2H]- 449.13620 208.2
[M]+ 428.16098 206.3
[M]- 428.16208 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.