CID 3073028

145441-10-7

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NO2)CO
InChI
InChI=1S/C13H14N2O3/c1-8-4-3-5-9(2)12(8)14-13(17)11-6-10(7-16)15-18-11/h3-6,16H,7H2,1-2H3,(H,14,17)
InChIKey
NVAIIBMMCLUVTC-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-(hydroxymethyl)-1,2-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 155.0
[M+Na]+ 269.08967 163.3
[M-H]- 245.09317 160.6
[M+NH4]+ 264.13427 170.8
[M+K]+ 285.06361 161.3
[M+H-H2O]+ 229.09771 147.7
[M+HCOO]- 291.09865 177.6
[M+CH3COO]- 305.11430 193.1
[M+Na-2H]- 267.07512 158.5
[M]+ 246.09990 157.1
[M]- 246.10100 157.1
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.