CID 2303676

3084-04-6

Structural Information

Molecular Formula
C11H8N2OS
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=CSC(=N3)N
InChI
InChI=1S/C11H8N2OS/c12-11-13-8(6-15-11)10-5-7-3-1-2-4-9(7)14-10/h1-6H,(H2,12,13)
InChIKey
IQIAVCUUQIGJPO-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

29
Patents

216.03574 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04302 142.2
[M+Na]+ 239.02496 154.8
[M-H]- 215.02846 150.9
[M+NH4]+ 234.06956 163.7
[M+K]+ 254.99890 151.7
[M+H-H2O]+ 199.03300 137.0
[M+HCOO]- 261.03394 164.4
[M+CH3COO]- 275.04959 157.5
[M+Na-2H]- 237.01041 146.5
[M]+ 216.03519 146.7
[M]- 216.03629 146.7
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