CID 3076179

Brn 5817978

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=NOC(=C2)C
InChI
InChI=1S/C15H18N2O2/c1-9(2)12-7-5-6-10(3)14(12)16-15(18)13-8-11(4)19-17-13/h5-9H,1-4H3,(H,16,18)
InChIKey
GVMUUFOKSYOPHT-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.13684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 161.2
[M+Na]+ 281.126058 169.0
[M-H]- 257.129564 168.0
[M+NH4]+ 276.170663 177.3
[M+K]+ 297.099998 167.3
[M+H-H2O]+ 241.134100 153.7
[M+HCOO]- 303.135041 183.5
[M+CH3COO]- 317.150691 200.3
[M+Na-2H]- 279.111506 162.9
[M]+ 258.13629142 163.9
[M]- 258.13738858 163.9
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