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 205.2
[M+Na]+ 451.15075 212.5
[M-H]- 427.15425 210.5
[M+NH4]+ 446.19535 211.1
[M+K]+ 467.12469 205.8
[M+H-H2O]+ 411.15879 188.8
[M+HCOO]- 473.15973 215.1
[M+CH3COO]- 487.17538 238.7
[M+Na-2H]- 449.13620 203.5
[M]+ 428.16098 200.4
[M]- 428.16208 200.4
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.