CID 3076169

130402-91-4

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)C
InChI
InChI=1S/C13H14N2O2/c1-8-5-4-6-9(2)12(8)14-13(16)11-7-10(3)17-15-11/h4-7H,1-3H3,(H,14,16)
InChIKey
RLXJYVWTIYEJIQ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

230.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 151.5
[M+Na]+ 253.09475 160.5
[M-H]- 229.09825 158.6
[M+NH4]+ 248.13935 168.8
[M+K]+ 269.06869 158.7
[M+H-H2O]+ 213.10279 144.2
[M+HCOO]- 275.10373 175.5
[M+CH3COO]- 289.11938 193.3
[M+Na-2H]- 251.08020 155.4
[M]+ 230.10498 154.1
[M]- 230.10608 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe