CID 3007271

Schembl5853899

Structural Information

Molecular Formula
C17H11Cl2IN2O2
SMILES
C1=CC(=CC(=C1)NC(=O)CI)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H11Cl2IN2O2/c18-12-5-2-6-13(19)17(12)14-8-15(24-22-14)10-3-1-4-11(7-10)21-16(23)9-20/h1-8H,9H2,(H,21,23)
InChIKey
OXJPGGQZOCHKIU-UHFFFAOYSA-N
Compound name
N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

471.92422 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.93150 190.1
[M+Na]+ 494.91344 193.0
[M-H]- 470.91694 191.4
[M+NH4]+ 489.95804 198.1
[M+K]+ 510.88738 192.6
[M+H-H2O]+ 454.92148 178.4
[M+HCOO]- 516.92242 199.0
[M+CH3COO]- 530.93807 196.7
[M+Na-2H]- 492.89889 180.1
[M]+ 471.92367 192.4
[M]- 471.92477 192.4
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