CID 258112

5-amino-3-phenyl-1,2-oxazole-4-carboxamide

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)C2=NOC(=C2C(=O)N)N
InChI
InChI=1S/C10H9N3O2/c11-9(14)7-8(13-15-10(7)12)6-4-2-1-3-5-6/h1-5H,12H2,(H2,11,14)
InChIKey
CTYHRZLZAZQSPO-UHFFFAOYSA-N
Compound name
5-amino-3-phenyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 142.3
[M+Na]+ 226.05869 150.7
[M-H]- 202.06219 148.4
[M+NH4]+ 221.10329 159.3
[M+K]+ 242.03263 148.8
[M+H-H2O]+ 186.06673 134.8
[M+HCOO]- 248.06767 167.0
[M+CH3COO]- 262.08332 187.7
[M+Na-2H]- 224.04414 146.9
[M]+ 203.06892 140.8
[M]- 203.07002 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe