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 199.7
[M+Na]+ 446.07972 209.8
[M-H]- 422.08322 206.4
[M+NH4]+ 441.12432 208.9
[M+K]+ 462.05366 200.0
[M+H-H2O]+ 406.08776 188.3
[M+HCOO]- 468.08870 210.5
[M+CH3COO]- 482.10435 208.4
[M+Na-2H]- 444.06517 203.8
[M]+ 423.08995 204.4
[M]- 423.09105 204.4
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.