CID 3007279

Schembl5150362

Structural Information

Molecular Formula
C20H13Cl3N4O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC=C3Cl)N4C=CN=C4
InChI
InChI=1S/C20H13Cl3N4O2/c21-14-5-2-6-16(27-8-7-24-11-27)18(14)15-10-17(29-26-15)12-3-1-4-13(9-12)25-20(28)19(22)23/h1-11,19H,(H,25,28)
InChIKey
CQYRGYOICILELB-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-chloro-6-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

446.0104 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.01768 200.1
[M+Na]+ 468.99962 210.0
[M-H]- 445.00312 208.7
[M+NH4]+ 464.04422 208.0
[M+K]+ 484.97356 203.6
[M+H-H2O]+ 429.00766 189.2
[M+HCOO]- 491.00860 206.7
[M+CH3COO]- 505.02425 208.9
[M+Na-2H]- 466.98507 198.0
[M]+ 446.00985 206.7
[M]- 446.01095 206.7
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