CID 25109292

Ezutromid

Structural Information

Molecular Formula
C19H15NO3S
SMILES
CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
InChIKey
KSGCNXAZROJSNW-UHFFFAOYSA-N
Compound name
5-ethylsulfonyl-2-naphthalen-2-yl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

179
Patents

337.07727 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08455 175.2
[M+Na]+ 360.06649 192.0
[M+NH4]+ 355.11109 184.2
[M+K]+ 376.04043 183.7
[M-H]- 336.06999 181.1
[M+Na-2H]- 358.05194 183.5
[M]+ 337.07672 180.1
[M]- 337.07782 180.1
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