CID 3076184

Brn 5820740

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCN(C1=C(C=CC=C1C)C)C(=O)C2=NOC(=C2)C
InChI
InChI=1S/C15H18N2O2/c1-5-17(14-10(2)7-6-8-11(14)3)15(18)13-9-12(4)19-16-13/h6-9H,5H2,1-4H3
InChIKey
NJELPFBGMRMZQT-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 160.6
[M+Na]+ 281.12606 168.9
[M-H]- 257.12956 168.8
[M+NH4]+ 276.17066 177.4
[M+K]+ 297.10000 168.0
[M+H-H2O]+ 241.13410 152.8
[M+HCOO]- 303.13504 184.4
[M+CH3COO]- 317.15069 202.8
[M+Na-2H]- 279.11151 162.7
[M]+ 258.13629 165.2
[M]- 258.13739 165.2
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.