CID 2049900

1,3-dioxolo[4,5-f]benzothiazol-6-amine

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
C1OC2=C(O1)C=C3C(=C2)N=C(S3)N
InChI
InChI=1S/C8H6N2O2S/c9-8-10-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2,(H2,9,10)
InChIKey
GAIRHYOGMGDIGP-UHFFFAOYSA-N
Compound name
[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

194.015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 133.5
[M+Na]+ 217.00422 146.2
[M-H]- 193.00772 140.2
[M+NH4]+ 212.04882 155.6
[M+K]+ 232.97816 145.5
[M+H-H2O]+ 177.01226 129.8
[M+HCOO]- 239.01320 152.9
[M+CH3COO]- 253.02885 149.0
[M+Na-2H]- 214.98967 139.8
[M]+ 194.01445 138.8
[M]- 194.01555 138.8
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