CID 3076178

Brn 5816914

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=NOC(=C2)C
InChI
InChI=1S/C12H11ClN2O2/c1-7-4-3-5-9(13)11(7)14-12(16)10-6-8(2)17-15-10/h3-6H,1-2H3,(H,14,16)
InChIKey
BMPNQHJHXIRYBE-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.0509 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 154.7
[M+Na]+ 273.04012 164.8
[M-H]- 249.04362 161.6
[M+NH4]+ 268.08472 172.0
[M+K]+ 289.01406 161.4
[M+H-H2O]+ 233.04816 148.0
[M+HCOO]- 295.04910 174.3
[M+CH3COO]- 309.06475 194.1
[M+Na-2H]- 271.02557 158.5
[M]+ 250.05035 158.9
[M]- 250.05145 158.9
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

patents stripe