CID 15604135

Oxaziclomefone

Structural Information

Molecular Formula
C20H19Cl2NO2
SMILES
CC1=C(C(=O)N(CO1)C(C)(C)C2=CC(=CC(=C2)Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
InChIKey
FCOHEOSCARXMMS-UHFFFAOYSA-N
Compound name
3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

15408
Patents

375.07928 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08656 187.8
[M+Na]+ 398.06850 197.4
[M-H]- 374.07200 196.2
[M+NH4]+ 393.11310 198.8
[M+K]+ 414.04244 191.4
[M+H-H2O]+ 358.07654 179.2
[M+HCOO]- 420.07748 195.4
[M+CH3COO]- 434.09313 216.6
[M+Na-2H]- 396.05395 189.5
[M]+ 375.07873 191.7
[M]- 375.07983 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe