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 156.0
[M+Na]+ 284.04642 166.6
[M-H]- 260.04992 162.1
[M+NH4]+ 279.09102 172.2
[M+K]+ 300.02036 162.9
[M+H-H2O]+ 244.05446 149.0
[M+HCOO]- 306.05540 171.5
[M+CH3COO]- 320.07105 168.5
[M+Na-2H]- 282.03187 158.1
[M]+ 261.05665 157.4
[M]- 261.05775 157.4
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.