CID 987785

301680-61-5

Structural Information

Molecular Formula
C19H15ClN2O4
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C19H15ClN2O4/c1-11-16(17(22-26-11)14-5-3-4-6-15(14)20)18(23)21-13-9-7-12(8-10-13)19(24)25-2/h3-10H,1-2H3,(H,21,23)
InChIKey
YIPSMJVNMLAMOV-UHFFFAOYSA-N
Compound name
methyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.07202 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.079296 185.9
[M+Na]+ 393.061238 194.7
[M-H]- 369.064744 196.0
[M+NH4]+ 388.105843 197.7
[M+K]+ 409.035178 190.9
[M+H-H2O]+ 353.069280 177.3
[M+HCOO]- 415.070221 204.0
[M+CH3COO]- 429.085871 216.0
[M+Na-2H]- 391.046686 186.5
[M]+ 370.07147142 192.1
[M]- 370.07256858 192.1
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.