CID 3076177

Brn 5817676

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=C(C(=CC=C1)C)N(C)C(=O)C2=NOC(=C2)C
InChI
InChI=1S/C14H16N2O2/c1-9-6-5-7-10(2)13(9)16(4)14(17)12-8-11(3)18-15-12/h5-8H,1-4H3
InChIKey
OTMXTFCQWUJDPD-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.8
[M+Na]+ 267.11041 164.5
[M-H]- 243.11391 164.2
[M+NH4]+ 262.15501 173.2
[M+K]+ 283.08435 163.9
[M+H-H2O]+ 227.11845 148.2
[M+HCOO]- 289.11939 180.0
[M+CH3COO]- 303.13504 199.8
[M+Na-2H]- 265.09586 158.5
[M]+ 244.12064 160.0
[M]- 244.12174 160.0
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.