CID 616435

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine

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]+ 235.053576 146.7
[M+Na]+ 257.035518 156.1
[M-H]- 233.039024 154.4
[M+NH4]+ 252.080123 163.7
[M+K]+ 273.009458 154.4
[M+H-H2O]+ 217.043560 140.6
[M+HCOO]- 279.044501 163.1
[M+CH3COO]- 293.060151 159.9
[M+Na-2H]- 255.020966 151.6
[M]+ 234.04575142 147.8
[M]- 234.04684858 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