CID 135500017

3-benzoyl-5-(4-chlorophenyl)isoxazolo(4,3-d)pyrimidin-7(6h)-one

Structural Information

Molecular Formula
C18H10ClN3O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C3C(=NO2)C(=O)NC(=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H10ClN3O3/c19-12-8-6-11(7-9-12)17-20-13-14(18(24)21-17)22-25-16(13)15(23)10-4-2-1-3-5-10/h1-9H,(H,20,21,24)
InChIKey
QNRODYDBQABYQK-UHFFFAOYSA-N
Compound name
3-benzoyl-5-(4-chlorophenyl)-6H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.04108 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.04836 177.5
[M+Na]+ 374.03030 196.2
[M+NH4]+ 369.07490 184.5
[M+K]+ 390.00424 190.0
[M-H]- 350.03380 183.3
[M+Na-2H]- 372.01575 187.1
[M]+ 351.04053 182.2
[M]- 351.04163 182.2
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.