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]+ 289.11828 166.0
[M+Na]+ 311.10022 173.8
[M-H]- 287.10372 172.8
[M+NH4]+ 306.14482 180.6
[M+K]+ 327.07416 172.7
[M+H-H2O]+ 271.10826 158.1
[M+HCOO]- 333.10920 188.8
[M+CH3COO]- 347.12485 203.2
[M+Na-2H]- 309.08567 167.8
[M]+ 288.11045 170.7
[M]- 288.11155 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.