CID 3071920

Brn 5819257

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)COC
InChI
InChI=1S/C14H16N2O3/c1-9-5-4-6-10(2)13(9)15-14(17)12-7-11(8-18-3)19-16-12/h4-7H,8H2,1-3H3,(H,15,17)
InChIKey
WLSAOSVINKQXIG-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 159.1
[M+Na]+ 283.10532 167.5
[M-H]- 259.10882 166.0
[M+NH4]+ 278.14992 175.1
[M+K]+ 299.07926 166.1
[M+H-H2O]+ 243.11336 151.4
[M+HCOO]- 305.11430 183.0
[M+CH3COO]- 319.12995 198.5
[M+Na-2H]- 281.09077 162.6
[M]+ 260.11555 163.5
[M]- 260.11665 163.5
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