CID 4962239

5-(ethylsulfonyl)-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)N
InChI
InChI=1S/C9H10N2O3S/c1-2-15(12,13)6-3-4-8-7(5-6)11-9(10)14-8/h3-5H,2H2,1H3,(H2,10,11)
InChIKey
FUXAZMZRMRYBFX-UHFFFAOYSA-N
Compound name
5-ethylsulfonyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.04121 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04849 146.4
[M+Na]+ 249.03043 158.2
[M+NH4]+ 244.07503 153.8
[M+K]+ 265.00437 153.7
[M-H]- 225.03393 148.4
[M+Na-2H]- 247.01588 150.8
[M]+ 226.04066 149.0
[M]- 226.04176 149.0
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

patents stripe