CID 3007425

108664-54-6

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)C(CO)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O3/c18-12-7-5-11(6-8-12)16(22)15(9-21)20-10-19-14-4-2-1-3-13(14)17(20)23/h1-8,10,15,21H,9H2
InChIKey
SSTCVWYHONZIIR-UHFFFAOYSA-N
Compound name
3-[1-(4-chlorophenyl)-3-hydroxy-1-oxopropan-2-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.06146 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 170.9
[M+Na]+ 351.05068 180.2
[M-H]- 327.05418 174.6
[M+NH4]+ 346.09528 183.0
[M+K]+ 367.02462 173.8
[M+H-H2O]+ 311.05872 162.1
[M+HCOO]- 373.05966 184.1
[M+CH3COO]- 387.07531 181.3
[M+Na-2H]- 349.03613 175.4
[M]+ 328.06091 173.9
[M]- 328.06201 173.9
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

No patent data available for this compound.