CID 3087427

2h-1,4-benzoxazin-3(4h)-one, 6-(2-phenyl-4-thiazolyl)-

Structural Information

Molecular Formula
C17H12N2O2S
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C17H12N2O2S/c20-16-9-21-15-7-6-12(8-13(15)18-16)14-10-22-17(19-14)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,20)
InChIKey
AAZGEBQRRAZIBF-UHFFFAOYSA-N
Compound name
6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.06195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06923 167.8
[M+Na]+ 331.05117 177.3
[M-H]- 307.05467 175.7
[M+NH4]+ 326.09577 181.2
[M+K]+ 347.02511 171.8
[M+H-H2O]+ 291.05921 159.8
[M+HCOO]- 353.06015 181.4
[M+CH3COO]- 367.07580 179.0
[M+Na-2H]- 329.03662 170.2
[M]+ 308.06140 167.8
[M]- 308.06250 167.8
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