CID 497781

Chembl261978

Structural Information

Molecular Formula
C20H17N3O3
SMILES
CC1=C(OC(=N1)NC2=CC(=C(C=C2)C3=CN=CO3)OC)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3O3/c1-13-19(14-6-4-3-5-7-14)26-20(22-13)23-15-8-9-16(17(10-15)24-2)18-11-21-12-25-18/h3-12H,1-2H3,(H,22,23)
InChIKey
BZTHBXDLWKFMFC-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-5-phenyl-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

347.12698 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13426 179.2
[M+Na]+ 370.11620 189.2
[M-H]- 346.11970 192.5
[M+NH4]+ 365.16080 190.1
[M+K]+ 386.09014 186.5
[M+H-H2O]+ 330.12424 169.8
[M+HCOO]- 392.12518 204.1
[M+CH3COO]- 406.14083 191.8
[M+Na-2H]- 368.10165 182.5
[M]+ 347.12643 185.5
[M]- 347.12753 185.5
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

No patent data available for this compound.