CID 346470

Tetrazolo[5,1-b][1,3]benzothiazole

Structural Information

Molecular Formula
C7H4N4S
SMILES
C1=CC=C2C(=C1)N3C(=NN=N3)S2
InChI
InChI=1S/C7H4N4S/c1-2-4-6-5(3-1)11-7(12-6)8-9-10-11/h1-4H
InChIKey
IUMRBKDMFRMZFM-UHFFFAOYSA-N
Compound name
tetrazolo[5,1-b][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

176.01567 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02295 130.2
[M+Na]+ 199.00489 145.8
[M-H]- 175.00839 132.8
[M+NH4]+ 194.04949 152.2
[M+K]+ 214.97883 142.3
[M+H-H2O]+ 159.01293 123.9
[M+HCOO]- 221.01387 149.9
[M+CH3COO]- 235.02952 145.6
[M+Na-2H]- 196.99034 137.4
[M]+ 176.01512 136.9
[M]- 176.01622 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe