CID 16227165

923729-61-7

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)CCl)CC3=CC=CO3
InChI
InChI=1S/C14H11ClN2O2/c15-8-13-16-12-6-2-1-5-11(12)14(18)17(13)9-10-4-3-7-19-10/h1-7H,8-9H2
InChIKey
IUOSKJVPOABQDY-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-(furan-2-ylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05818 157.2
[M+Na]+ 297.04012 175.0
[M+NH4]+ 292.08472 165.9
[M+K]+ 313.01406 168.2
[M-H]- 273.04362 162.3
[M+Na-2H]- 295.02557 166.1
[M]+ 274.05035 161.7
[M]- 274.05145 161.7
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.