CID 3007302

Schembl5261443

Structural Information

Molecular Formula
C21H17Cl4N3O3
SMILES
C1COCCN1C2=C(C=C(C=C2)C3=CC(=NO3)C4=C(C=CC=C4Cl)Cl)NC(=O)C(Cl)Cl
InChI
InChI=1S/C21H17Cl4N3O3/c22-13-2-1-3-14(23)19(13)16-11-18(31-27-16)12-4-5-17(28-6-8-30-9-7-28)15(10-12)26-21(29)20(24)25/h1-5,10-11,20H,6-9H2,(H,26,29)
InChIKey
VZKKCJITHZRREN-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[5-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-2-morpholin-4-ylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

499.0024 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.00968 212.4
[M+Na]+ 521.99162 218.6
[M-H]- 497.99512 219.1
[M+NH4]+ 517.03622 216.3
[M+K]+ 537.96556 214.4
[M+H-H2O]+ 481.99966 202.3
[M+HCOO]- 544.00060 207.7
[M+CH3COO]- 558.01625 217.9
[M+Na-2H]- 519.97707 207.4
[M]+ 499.00185 214.7
[M]- 499.00295 214.7
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

patents stripe