CID 19810

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

Structural Information

Molecular Formula
C14H18N2OS
SMILES
C1CCN(CC1)CCSC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C14H18N2OS/c1-4-8-16(9-5-1)10-11-18-14-15-12-6-2-3-7-13(12)17-14/h2-3,6-7H,1,4-5,8-11H2
InChIKey
OUGDZVINUSJPCU-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethylsulfanyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.11398 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12126 156.8
[M+Na]+ 285.10320 164.8
[M-H]- 261.10670 162.1
[M+NH4]+ 280.14780 173.1
[M+K]+ 301.07714 161.5
[M+H-H2O]+ 245.11124 149.1
[M+HCOO]- 307.11218 171.2
[M+CH3COO]- 321.12783 168.5
[M+Na-2H]- 283.08865 160.1
[M]+ 262.11343 158.6
[M]- 262.11453 158.6
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