CID 162345237

Ns00133140

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
C1=CC(=C(C=C1N)Cl)NC2=NOC(=C2)C=O
InChI
InChI=1S/C10H8ClN3O2/c11-8-3-6(12)1-2-9(8)13-10-4-7(5-15)16-14-10/h1-5H,12H2,(H,13,14)
InChIKey
JOCOHFJVDJGJNQ-UHFFFAOYSA-N
Compound name
3-(4-amino-2-chloroanilino)-1,2-oxazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.037776 149.9
[M+Na]+ 260.019718 160.2
[M-H]- 236.023224 156.4
[M+NH4]+ 255.064323 167.0
[M+K]+ 275.993658 156.3
[M+H-H2O]+ 220.027760 143.0
[M+HCOO]- 282.028701 171.5
[M+CH3COO]- 296.044351 192.3
[M+Na-2H]- 258.005166 155.3
[M]+ 237.02995142 152.4
[M]- 237.03104858 152.4
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

No patent data available for this compound.