CID 374725

Nsc652917

Structural Information

Molecular Formula
C16H11N3O2S
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C16H11N3O2S/c1-20-11-8-6-10(7-9-11)15-17-18-16(21-15)14-12-4-2-3-5-13(12)22-19-14/h2-9H,1H3
InChIKey
UJUUFEWZUGLNMD-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0572 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.064476 167.1
[M+Na]+ 332.046418 180.5
[M-H]- 308.049924 176.9
[M+NH4]+ 327.091023 182.3
[M+K]+ 348.020358 176.5
[M+H-H2O]+ 292.054460 159.5
[M+HCOO]- 354.055401 186.3
[M+CH3COO]- 368.071051 180.6
[M+Na-2H]- 330.031866 169.7
[M]+ 309.05665142 174.9
[M]- 309.05774858 174.9
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.