CID 3073013

Brn 5825450

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CCOC(=O)C1=CC=CC(=C1NC(=O)C2=NOC(=C2)C)C
InChI
InChI=1S/C15H16N2O4/c1-4-20-15(19)11-7-5-6-9(2)13(11)16-14(18)12-8-10(3)21-17-12/h5-8H,4H2,1-3H3,(H,16,18)
InChIKey
DKVXYJOFZQHUND-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.118276 166.0
[M+Na]+ 311.100218 173.8
[M-H]- 287.103724 172.8
[M+NH4]+ 306.144823 180.6
[M+K]+ 327.074158 172.7
[M+H-H2O]+ 271.108260 158.1
[M+HCOO]- 333.109201 188.8
[M+CH3COO]- 347.124851 203.2
[M+Na-2H]- 309.085666 167.8
[M]+ 288.11045142 170.7
[M]- 288.11154858 170.7
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.