CID 725101

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

Structural Information

Molecular Formula
C17H11ClN2O2S
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN2O2S/c18-12-4-1-10(2-5-12)17-20-14(9-23-17)11-3-6-15-13(7-11)19-16(21)8-22-15/h1-7,9H,8H2,(H,19,21)
InChIKey
YDAFBDGKKWVEJY-UHFFFAOYSA-N
Compound name
6-[2-(4-chlorophenyl)-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

342.02298 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03026 174.8
[M+Na]+ 365.01220 191.7
[M+NH4]+ 360.05680 184.1
[M+K]+ 380.98614 182.8
[M-H]- 341.01570 181.9
[M+Na-2H]- 362.99765 183.0
[M]+ 342.02243 180.2
[M]- 342.02353 180.2
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