CID 3087443

114566-65-3

Structural Information

Molecular Formula
C13H13N3O2S
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C13H13N3O2S/c1-2-16-10-5-8(9-7-19-13(14)15-9)3-4-11(10)18-6-12(16)17/h3-5,7H,2,6H2,1H3,(H2,14,15)
InChIKey
SSSQWPXVWRVILE-UHFFFAOYSA-N
Compound name
6-(2-amino-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07285 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08013 160.4
[M+Na]+ 298.06207 170.5
[M-H]- 274.06557 166.3
[M+NH4]+ 293.10667 176.0
[M+K]+ 314.03601 166.7
[M+H-H2O]+ 258.07011 153.2
[M+HCOO]- 320.07105 175.6
[M+CH3COO]- 334.08670 172.4
[M+Na-2H]- 296.04752 162.0
[M]+ 275.07230 162.1
[M]- 275.07340 162.1
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.