CID 63655

Brn 5645543

Structural Information

Molecular Formula
C23H19Cl2N3O
SMILES
CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CNCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H19Cl2N3O/c1-15-6-10-18(11-7-15)28-22(27-21-5-3-2-4-19(21)23(28)29)14-26-13-16-8-9-17(24)12-20(16)25/h2-12,26H,13-14H2,1H3
InChIKey
WAKQGBQRJUJMSX-UHFFFAOYSA-N
Compound name
2-[[(2,4-dichlorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0905 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09778 200.7
[M+Na]+ 446.07972 211.6
[M-H]- 422.08322 207.7
[M+NH4]+ 441.12432 210.2
[M+K]+ 462.05366 201.9
[M+H-H2O]+ 406.08776 189.5
[M+HCOO]- 468.08870 211.4
[M+CH3COO]- 482.10435 209.7
[M+Na-2H]- 444.06517 203.9
[M]+ 423.08995 205.8
[M]- 423.09105 205.8
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.