CID 740592

Oprea1_680596

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.12698 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13426 181.3
[M+Na]+ 370.11620 189.7
[M-H]- 346.11970 194.7
[M+NH4]+ 365.16080 194.8
[M+K]+ 386.09014 188.5
[M+H-H2O]+ 330.12424 173.0
[M+HCOO]- 392.12518 206.7
[M+CH3COO]- 406.14083 193.8
[M+Na-2H]- 368.10165 185.0
[M]+ 347.12643 187.4
[M]- 347.12753 187.4
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

No patent data available for this compound.