CID 24251519

[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine

Structural Information

Molecular Formula
C12H10N2OS
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=CSC(=N3)CN
InChI
InChI=1S/C12H10N2OS/c13-6-12-14-9(7-16-12)11-5-8-3-1-2-4-10(8)15-11/h1-5,7H,6,13H2
InChIKey
MPATYEYGEXMJGI-UHFFFAOYSA-N
Compound name
[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.05139 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 146.9
[M+Na]+ 253.04061 160.6
[M+NH4]+ 248.08521 156.8
[M+K]+ 269.01455 155.2
[M-H]- 229.04411 153.0
[M+Na-2H]- 251.02606 154.3
[M]+ 230.05084 151.1
[M]- 230.05194 151.1
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.