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 167.5
[M+Na]+ 331.05117 183.2
[M+NH4]+ 326.09577 176.5
[M+K]+ 347.02511 175.1
[M-H]- 307.05467 174.5
[M+Na-2H]- 329.03662 176.0
[M]+ 308.06140 172.3
[M]- 308.06250 172.3
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