CID 26776

5-methoxy-2-((2-piperidinoethyl)thio)benzoxazole hydrochloride

Structural Information

Molecular Formula
C15H20N2O2S
SMILES
COC1=CC2=C(C=C1)OC(=N2)SCCN3CCCCC3
InChI
InChI=1S/C15H20N2O2S/c1-18-12-5-6-14-13(11-12)16-15(19-14)20-10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3
InChIKey
KCUXXBVITHEJLU-UHFFFAOYSA-N
Compound name
5-methoxy-2-(2-piperidin-1-ylethylsulfanyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.12454 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13182 165.6
[M+Na]+ 315.11376 178.8
[M+NH4]+ 310.15836 174.4
[M+K]+ 331.08770 171.1
[M-H]- 291.11726 170.5
[M+Na-2H]- 313.09921 171.2
[M]+ 292.12399 169.4
[M]- 292.12509 169.4
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.