CID 63864

Brn 0715150

Structural Information

Molecular Formula
C20H13ClIN3O2
SMILES
C1=CC=C(C(=C1)OCC2=NC3=C(C=CC(=C3)I)C(=O)N2C4=CC=CC=N4)Cl
InChI
InChI=1S/C20H13ClIN3O2/c21-15-5-1-2-6-17(15)27-12-19-24-16-11-13(22)8-9-14(16)20(26)25(19)18-7-3-4-10-23-18/h1-11H,12H2
InChIKey
GXQUOEKPNDDQAF-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenoxy)methyl]-7-iodo-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.9741 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.98138 187.5
[M+Na]+ 511.96332 191.5
[M-H]- 487.96682 186.4
[M+NH4]+ 507.00792 192.0
[M+K]+ 527.93726 189.4
[M+H-H2O]+ 471.97136 171.9
[M+HCOO]- 533.97230 197.2
[M+CH3COO]- 547.98795 193.3
[M+Na-2H]- 509.94877 182.5
[M]+ 488.97355 188.9
[M]- 488.97465 188.9
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.