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

41
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

literature stripe

Patent stripe

patents stripe