CID 3112394

2',4'-dimethyl-[4,5']bithiazolyl-2-ylamine

Structural Information

Molecular Formula
C8H9N3S2
SMILES
CC1=C(SC(=N1)C)C2=CSC(=N2)N
InChI
InChI=1S/C8H9N3S2/c1-4-7(13-5(2)10-4)6-3-12-8(9)11-6/h3H,1-2H3,(H2,9,11)
InChIKey
MQRVWXNHZWZVMR-UHFFFAOYSA-N
Compound name
4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

211.02379 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03107 140.5
[M+Na]+ 234.01301 154.2
[M-H]- 210.01651 146.5
[M+NH4]+ 229.05761 161.8
[M+K]+ 249.98695 149.5
[M+H-H2O]+ 194.02105 134.9
[M+HCOO]- 256.02199 157.2
[M+CH3COO]- 270.03764 155.1
[M+Na-2H]- 231.99846 139.3
[M]+ 211.02324 144.8
[M]- 211.02434 144.8
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