CID 42654

2,2'-diamino-4,4'-bithiazole

Structural Information

Molecular Formula
C6H6N4S2
SMILES
C1=C(N=C(S1)N)C2=CSC(=N2)N
InChI
InChI=1S/C6H6N4S2/c7-5-9-3(1-11-5)4-2-12-6(8)10-4/h1-2H,(H2,7,9)(H2,8,10)
InChIKey
MRFMTBTUKQIBDI-UHFFFAOYSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

30
Patents

198.00339 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01067 134.5
[M+Na]+ 220.99261 147.3
[M-H]- 196.99611 139.8
[M+NH4]+ 216.03721 155.3
[M+K]+ 236.96655 142.4
[M+H-H2O]+ 181.00065 128.5
[M+HCOO]- 243.00159 152.2
[M+CH3COO]- 257.01724 148.8
[M+Na-2H]- 218.97806 135.0
[M]+ 198.00284 136.0
[M]- 198.00394 136.0
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.