CID 71778713

1351634-83-7

Structural Information

Molecular Formula
C8H5N3S2
SMILES
C1=CC2=C(C3=C1N=C(S3)N)N=CS2
InChI
InChI=1S/C8H5N3S2/c9-8-11-4-1-2-5-6(7(4)13-8)10-3-12-5/h1-3H,(H2,9,11)
InChIKey
QKDFGBUSMQNQNA-UHFFFAOYSA-N
Compound name
[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

206.9925 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.999776 135.5
[M+Na]+ 229.981718 151.2
[M-H]- 205.985224 140.4
[M+NH4]+ 225.026323 159.2
[M+K]+ 245.955658 146.2
[M+H-H2O]+ 189.989760 131.5
[M+HCOO]- 251.990701 152.5
[M+CH3COO]- 266.006351 150.9
[M+Na-2H]- 227.967166 140.2
[M]+ 206.99195142 141.8
[M]- 206.99304858 141.8
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

patents stripe