CID 3039191

4,5-oxazoledicarboxamide, 2-(4-chlorophenyl)-

Structural Information

Molecular Formula
C11H8ClN3O3
SMILES
C1=CC(=CC=C1C2=NC(=C(O2)C(=O)N)C(=O)N)Cl
InChI
InChI=1S/C11H8ClN3O3/c12-6-3-1-5(2-4-6)11-15-7(9(13)16)8(18-11)10(14)17/h1-4H,(H2,13,16)(H2,14,17)
InChIKey
QTNGIHPSLQQAEE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02542 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03270 157.4
[M+Na]+ 288.01464 166.7
[M-H]- 264.01814 163.6
[M+NH4]+ 283.05924 172.8
[M+K]+ 303.98858 163.4
[M+H-H2O]+ 248.02268 150.5
[M+HCOO]- 310.02362 176.5
[M+CH3COO]- 324.03927 198.2
[M+Na-2H]- 286.00009 159.0
[M]+ 265.02487 158.9
[M]- 265.02597 158.9
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.