CID 374723

Nsc652915

Structural Information

Molecular Formula
C15H9N3OS
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C15H9N3OS/c1-2-6-10(7-3-1)14-16-17-15(19-14)13-11-8-4-5-9-12(11)20-18-13/h1-9H
InChIKey
LQCNYQSVWRBJNB-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.04663 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05391 158.7
[M+Na]+ 302.03585 172.0
[M-H]- 278.03935 168.3
[M+NH4]+ 297.08045 175.0
[M+K]+ 318.00979 167.7
[M+H-H2O]+ 262.04389 151.2
[M+HCOO]- 324.04483 178.1
[M+CH3COO]- 338.06048 172.5
[M+Na-2H]- 300.02130 162.3
[M]+ 279.04608 164.5
[M]- 279.04718 164.5
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.