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]+ 275.058176 158.2
[M+Na]+ 297.040118 171.0
[M-H]- 273.043624 164.6
[M+NH4]+ 292.084723 174.4
[M+K]+ 313.014058 165.8
[M+H-H2O]+ 257.048160 150.1
[M+HCOO]- 319.049101 176.7
[M+CH3COO]- 333.064751 171.7
[M+Na-2H]- 295.025566 165.0
[M]+ 274.05035142 165.1
[M]- 274.05144858 165.1
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.