CID 3071921

Brn 5825779

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)COC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/c1-13-7-6-8-14(2)18(13)20-19(22)17-11-16(24-21-17)12-23-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKey
JEFGDIFUFKOOBQ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 176.0
[M+Na]+ 345.120958 183.4
[M-H]- 321.124464 185.7
[M+NH4]+ 340.165563 188.7
[M+K]+ 361.094898 180.3
[M+H-H2O]+ 305.129000 166.6
[M+HCOO]- 367.129941 199.4
[M+CH3COO]- 381.145591 209.4
[M+Na-2H]- 343.106406 178.9
[M]+ 322.13119142 179.4
[M]- 322.13228858 179.4
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.