CID 616435

105362-06-9

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)N
InChI
InChI=1S/C11H10N2O2S/c12-11-13-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9/h1-2,5-6H,3-4H2,(H2,12,13)
InChIKey
QNDNSJKGUGRQDK-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

234.0463 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 146.7
[M+Na]+ 257.03552 156.1
[M-H]- 233.03902 154.4
[M+NH4]+ 252.08012 163.7
[M+K]+ 273.00946 154.4
[M+H-H2O]+ 217.04356 140.6
[M+HCOO]- 279.04450 163.1
[M+CH3COO]- 293.06015 159.9
[M+Na-2H]- 255.02097 151.6
[M]+ 234.04575 147.8
[M]- 234.04685 147.8
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

patents stripe