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]+ 371.07930 185.9
[M+Na]+ 393.06124 194.7
[M-H]- 369.06474 196.0
[M+NH4]+ 388.10584 197.7
[M+K]+ 409.03518 190.9
[M+H-H2O]+ 353.06928 177.3
[M+HCOO]- 415.07022 204.0
[M+CH3COO]- 429.08587 216.0
[M+Na-2H]- 391.04669 186.5
[M]+ 370.07147 192.1
[M]- 370.07257 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.