CID 26780

2-((2-(diethylamino)ethyl)thio)-5-methoxybenzoxazole hydrochloride

Structural Information

Molecular Formula
C14H20N2O2S
SMILES
CCN(CC)CCSC1=NC2=C(O1)C=CC(=C2)OC
InChI
InChI=1S/C14H20N2O2S/c1-4-16(5-2)8-9-19-14-15-12-10-11(17-3)6-7-13(12)18-14/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey
BCPNSNHSXZRGOR-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(5-methoxy-1,3-benzoxazol-2-yl)sulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.12454 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13182 164.2
[M+Na]+ 303.11376 176.3
[M+NH4]+ 298.15836 172.6
[M+K]+ 319.08770 169.3
[M-H]- 279.11726 168.1
[M+Na-2H]- 301.09921 168.9
[M]+ 280.12399 167.5
[M]- 280.12509 167.5
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.