CID 374726

Nsc652918

Structural Information

Molecular Formula
C11H9N3S2
SMILES
CCC1=NN=C(S1)C2=NSC3=CC=CC=C32
InChI
InChI=1S/C11H9N3S2/c1-2-9-12-13-11(15-9)10-7-5-3-4-6-8(7)16-14-10/h3-6H,2H2,1H3
InChIKey
VHLIHEKBIKEZQL-UHFFFAOYSA-N
Compound name
3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.02379 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03107 149.2
[M+Na]+ 270.01301 163.8
[M-H]- 246.01651 155.1
[M+NH4]+ 265.05761 169.3
[M+K]+ 285.98695 158.7
[M+H-H2O]+ 230.02105 143.6
[M+HCOO]- 292.02199 164.1
[M+CH3COO]- 306.03764 163.4
[M+Na-2H]- 267.99846 150.3
[M]+ 247.02324 155.7
[M]- 247.02434 155.7
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.