CID 3087016

Brn 4273107

Structural Information

Molecular Formula
C21H25Cl2N3O3
SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)Cl)Cl)N
InChI
InChI=1S/C21H25Cl2N3O3/c1-2-28-20-10-19(24)18(23)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(22)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
InChIKey
ANLKCMVSGOASMP-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.1273 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.13458 206.0
[M+Na]+ 460.11652 211.5
[M-H]- 436.12002 212.9
[M+NH4]+ 455.16112 213.3
[M+K]+ 476.09046 205.9
[M+H-H2O]+ 420.12456 196.5
[M+HCOO]- 482.12550 214.2
[M+CH3COO]- 496.14115 231.3
[M+Na-2H]- 458.10197 204.3
[M]+ 437.12675 208.1
[M]- 437.12785 208.1
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.