CID 63191

Brn 5351514

Structural Information

Molecular Formula
C17H12Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O2/c18-11-5-6-12(14(19)9-11)16(22)7-8-21-10-20-15-4-2-1-3-13(15)17(21)23/h1-6,9-10H,7-8H2
InChIKey
FHWUAARJLGYZJV-UHFFFAOYSA-N
Compound name
3-[3-(2,4-dichlorophenyl)-3-oxopropyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0276 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03488 174.9
[M+Na]+ 369.01682 193.4
[M+NH4]+ 364.06142 183.2
[M+K]+ 384.99076 183.6
[M-H]- 345.02032 178.9
[M+Na-2H]- 367.00227 183.9
[M]+ 346.02705 179.5
[M]- 346.02815 179.5
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.