CID 3076463

131322-36-6

Structural Information

Molecular Formula
C20H23Cl2N3O3
SMILES
COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)Cl)Cl)N
InChI
InChI=1S/C20H23Cl2N3O3/c1-27-19-9-18(23)17(22)8-16(19)20(26)24-10-15-12-25(6-7-28-15)11-13-2-4-14(21)5-3-13/h2-5,8-9,15H,6-7,10-12,23H2,1H3,(H,24,26)
InChIKey
OJRFPYKKIKKATG-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.11163 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.11891 200.1
[M+Na]+ 446.10085 213.7
[M+NH4]+ 441.14545 206.8
[M+K]+ 462.07479 205.7
[M-H]- 422.10435 207.1
[M+Na-2H]- 444.08630 206.4
[M]+ 423.11108 204.5
[M]- 423.11218 204.5
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.