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 175.5
[M+Na]+ 365.01220 186.4
[M-H]- 341.01570 183.5
[M+NH4]+ 360.05680 188.6
[M+K]+ 380.98614 179.7
[M+H-H2O]+ 325.02024 168.0
[M+HCOO]- 387.02118 184.3
[M+CH3COO]- 401.03683 186.4
[M+Na-2H]- 362.99765 176.6
[M]+ 342.02243 178.0
[M]- 342.02353 178.0
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