CID 2758374

436151-87-0

Structural Information

Molecular Formula
C11H10N2OS
SMILES
C1COC2=C1C=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C11H10N2OS/c12-11-13-9(6-15-11)7-1-2-10-8(5-7)3-4-14-10/h1-2,5-6H,3-4H2,(H2,12,13)
InChIKey
YREUPBBWTZDQPA-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

218.05139 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 144.1
[M+Na]+ 241.04061 154.5
[M-H]- 217.04411 151.8
[M+NH4]+ 236.08521 165.2
[M+K]+ 257.01455 151.8
[M+H-H2O]+ 201.04865 138.8
[M+HCOO]- 263.04959 163.4
[M+CH3COO]- 277.06524 158.2
[M+Na-2H]- 239.02606 146.5
[M]+ 218.05084 145.7
[M]- 218.05194 145.7
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.