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 201.6
[M+Na]+ 446.10085 207.6
[M-H]- 422.10435 208.8
[M+NH4]+ 441.14545 209.5
[M+K]+ 462.07479 202.2
[M+H-H2O]+ 406.10889 192.3
[M+HCOO]- 468.10983 210.2
[M+CH3COO]- 482.12548 228.5
[M+Na-2H]- 444.08630 200.5
[M]+ 423.11108 203.4
[M]- 423.11218 203.4
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.