CID 63608

Brn 6009347

Structural Information

Molecular Formula
C23H19Cl2N3O
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)CNCCC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H19Cl2N3O/c24-17-7-5-16(6-8-17)13-14-26-15-22-27-21-4-2-1-3-20(21)23(29)28(22)19-11-9-18(25)10-12-19/h1-12,26H,13-15H2
InChIKey
CLRJQNKZALKRIW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)ethylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0905 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09778 201.7
[M+Na]+ 446.07972 221.6
[M+NH4]+ 441.12432 210.5
[M+K]+ 462.05366 209.0
[M-H]- 422.08322 209.4
[M+Na-2H]- 444.06517 212.9
[M]+ 423.08995 207.7
[M]- 423.09105 207.7
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.