CID 497775

Chembl430981

Structural Information

Molecular Formula
C20H17N3O4
SMILES
COC1=CC=CC(=C1)C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC
InChI
InChI=1S/C20H17N3O4/c1-24-15-5-3-4-13(8-15)18-11-22-20(27-18)23-14-6-7-16(17(9-14)25-2)19-10-21-12-26-19/h3-12H,1-2H3,(H,22,23)
InChIKey
KJURYJBYCZYPOR-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

363.12192 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12920 181.5
[M+Na]+ 386.11114 191.3
[M-H]- 362.11464 194.9
[M+NH4]+ 381.15574 191.6
[M+K]+ 402.08508 189.3
[M+H-H2O]+ 346.11918 172.0
[M+HCOO]- 408.12012 206.6
[M+CH3COO]- 422.13577 193.9
[M+Na-2H]- 384.09659 185.0
[M]+ 363.12137 189.2
[M]- 363.12247 189.2
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