CID 1269153

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

Structural Information

Molecular Formula
C18H13ClN2O2S
SMILES
CN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H13ClN2O2S/c1-21-15-8-12(4-7-16(15)23-9-17(21)22)14-10-24-18(20-14)11-2-5-13(19)6-3-11/h2-8,10H,9H2,1H3
InChIKey
COOFHYHUMFRCIZ-UHFFFAOYSA-N
Compound name
6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.03864 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.045916 181.1
[M+Na]+ 379.027858 192.8
[M-H]- 355.031364 190.7
[M+NH4]+ 374.072463 194.6
[M+K]+ 395.001798 186.8
[M+H-H2O]+ 339.035900 173.2
[M+HCOO]- 401.036841 191.0
[M+CH3COO]- 415.052491 192.6
[M+Na-2H]- 377.013306 181.2
[M]+ 356.03809142 186.0
[M]- 356.03918858 186.0
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

No patent data available for this compound.