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]+ 219.058666 144.1
[M+Na]+ 241.040608 154.5
[M-H]- 217.044114 151.8
[M+NH4]+ 236.085213 165.2
[M+K]+ 257.014548 151.8
[M+H-H2O]+ 201.048650 138.8
[M+HCOO]- 263.049591 163.4
[M+CH3COO]- 277.065241 158.2
[M+Na-2H]- 239.026056 146.5
[M]+ 218.05084142 145.7
[M]- 218.05193858 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

literature stripe

Patent stripe

patents stripe