CID 4369497

N-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1,3-oxazol-2-amine

Structural Information

Molecular Formula
C23H21N3O4S
SMILES
CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC(=C3)C4=CC=CC=N4
InChI
InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)
InChIKey
HTIZPBXCJPQDEM-UHFFFAOYSA-N
Compound name
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-pyridin-2-ylphenyl)-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

435.12527 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.13255 203.9
[M+Na]+ 458.11449 212.6
[M-H]- 434.11799 215.8
[M+NH4]+ 453.15909 211.0
[M+K]+ 474.08843 207.6
[M+H-H2O]+ 418.12253 193.6
[M+HCOO]- 480.12347 220.8
[M+CH3COO]- 494.13912 213.6
[M+Na-2H]- 456.09994 206.2
[M]+ 435.12472 209.7
[M]- 435.12582 209.7
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.