CID 3087438

114566-60-8

Structural Information

Molecular Formula
C12H11N3O2S
SMILES
CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C12H11N3O2S/c1-15-9-4-7(8-6-18-12(13)14-8)2-3-10(9)17-5-11(15)16/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKey
STHIZLTYZQLTNT-UHFFFAOYSA-N
Compound name
6-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0572 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06448 156.2
[M+Na]+ 284.04642 169.2
[M+NH4]+ 279.09102 164.6
[M+K]+ 300.02036 163.2
[M-H]- 260.04992 161.2
[M+Na-2H]- 282.03187 161.4
[M]+ 261.05665 159.9
[M]- 261.05775 159.9
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.