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]+ 357.04592 181.1
[M+Na]+ 379.02786 192.8
[M-H]- 355.03136 190.7
[M+NH4]+ 374.07246 194.6
[M+K]+ 395.00180 186.8
[M+H-H2O]+ 339.03590 173.2
[M+HCOO]- 401.03684 191.0
[M+CH3COO]- 415.05249 192.6
[M+Na-2H]- 377.01331 181.2
[M]+ 356.03809 186.0
[M]- 356.03919 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.