CID 505310

N-[3-chloro-4-(morpholine-4-carbonyl)-phenyl]-n-(3,4-dichloro-benzyl)-3-(4-methoxy-pyrimidin-2-yl)-3-oxo-propionamide

Structural Information

Molecular Formula
C26H23Cl3N4O5
SMILES
COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)C(=O)N4CCOCC4)Cl
InChI
InChI=1S/C26H23Cl3N4O5/c1-37-23-6-7-30-25(31-23)22(34)14-24(35)33(15-16-2-5-19(27)21(29)12-16)17-3-4-18(20(28)13-17)26(36)32-8-10-38-11-9-32/h2-7,12-13H,8-11,14-15H2,1H3
InChIKey
PLLHUVKMQGEEQR-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]-3-(4-methoxypyrimidin-2-yl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.0734 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.08068 223.4
[M+Na]+ 599.06262 227.9
[M-H]- 575.06612 231.1
[M+NH4]+ 594.10722 222.7
[M+K]+ 615.03656 224.3
[M+H-H2O]+ 559.07066 210.6
[M+HCOO]- 621.07160 222.2
[M+CH3COO]- 635.08725 252.6
[M+Na-2H]- 597.04807 219.9
[M]+ 576.07285 229.3
[M]- 576.07395 229.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.