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]+ 323.13902 176.0
[M+Na]+ 345.12096 183.4
[M-H]- 321.12446 185.7
[M+NH4]+ 340.16556 188.7
[M+K]+ 361.09490 180.3
[M+H-H2O]+ 305.12900 166.6
[M+HCOO]- 367.12994 199.4
[M+CH3COO]- 381.14559 209.4
[M+Na-2H]- 343.10641 178.9
[M]+ 322.13119 179.4
[M]- 322.13229 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.