CID 613738

16162-28-0

Structural Information

Molecular Formula
C8H6N4S2
SMILES
C1=C2C(=CC3=C1SC(=N3)N)SC(=N2)N
InChI
InChI=1S/C8H6N4S2/c9-7-11-3-1-5-4(2-6(3)14-7)12-8(10)13-5/h1-2H,(H2,9,11)(H2,10,12)
InChIKey
ZLPFCTALWYMMQL-UHFFFAOYSA-N
Compound name
[1,3]thiazolo[5,4-f][1,3]benzothiazole-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

222.00339 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01067 138.0
[M+Na]+ 244.99261 153.4
[M-H]- 220.99611 142.5
[M+NH4]+ 240.03721 160.6
[M+K]+ 260.96655 147.8
[M+H-H2O]+ 205.00065 133.9
[M+HCOO]- 267.00159 155.1
[M+CH3COO]- 281.01724 152.8
[M+Na-2H]- 242.97806 142.4
[M]+ 222.00284 143.1
[M]- 222.00394 143.1
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