CID 727580

185613-91-6

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C10H8N2O2S/c11-10-12-7(4-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5H2,(H2,11,12)
InChIKey
AKVSKDDSOWLASE-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

220.03065 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 143.5
[M+Na]+ 243.01987 155.6
[M+NH4]+ 238.06447 152.9
[M+K]+ 258.99381 152.1
[M-H]- 219.02337 150.0
[M+Na-2H]- 241.00532 148.6
[M]+ 220.03010 147.5
[M]- 220.03120 147.5
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