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

8
Patents

342.02298 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.030256 175.5
[M+Na]+ 365.012198 186.4
[M-H]- 341.015704 183.5
[M+NH4]+ 360.056803 188.6
[M+K]+ 380.986138 179.7
[M+H-H2O]+ 325.020240 168.0
[M+HCOO]- 387.021181 184.3
[M+CH3COO]- 401.036831 186.4
[M+Na-2H]- 362.997646 176.6
[M]+ 342.02243142 178.0
[M]- 342.02352858 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