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]+ 436.132546 203.9
[M+Na]+ 458.114488 212.6
[M-H]- 434.117994 215.8
[M+NH4]+ 453.159093 211.0
[M+K]+ 474.088428 207.6
[M+H-H2O]+ 418.122530 193.6
[M+HCOO]- 480.123471 220.8
[M+CH3COO]- 494.139121 213.6
[M+Na-2H]- 456.099936 206.2
[M]+ 435.12472142 209.7
[M]- 435.12581858 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

literature stripe

Patent stripe

patents stripe