CID 497772

Chembl67794

Structural Information

Molecular Formula
C20H17N3O3
SMILES
CC1=CC(=CC=C1)C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC
InChI
InChI=1S/C20H17N3O3/c1-13-4-3-5-14(8-13)18-11-22-20(26-18)23-15-6-7-16(17(9-15)24-2)19-10-21-12-25-19/h3-12H,1-2H3,(H,22,23)
InChIKey
LTCWQYVOXOEXLQ-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(3-methylphenyl)-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
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

literature stripe

Patent stripe

patents stripe