CID 45054406

763109-07-5

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CCOC(=O)C1=NOC(=C1C2=CC=C(C=C2)OC)N
InChI
InChI=1S/C13H14N2O4/c1-3-18-13(16)11-10(12(14)19-15-11)8-4-6-9(17-2)7-5-8/h4-7H,3,14H2,1-2H3
InChIKey
VIORUJOIJJXREO-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 157.6
[M+Na]+ 285.08459 166.2
[M-H]- 261.08809 164.1
[M+NH4]+ 280.12919 173.1
[M+K]+ 301.05853 165.3
[M+H-H2O]+ 245.09263 149.9
[M+HCOO]- 307.09357 181.3
[M+CH3COO]- 321.10922 197.1
[M+Na-2H]- 283.07004 160.6
[M]+ 262.09482 162.0
[M]- 262.09592 162.0
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.