CID 63610

Brn 6015748

Structural Information

Molecular Formula
C23H19Cl2N3O2
SMILES
COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CNCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H19Cl2N3O2/c1-30-18-10-8-17(9-11-18)28-22(27-21-5-3-2-4-19(21)23(28)29)14-26-13-15-6-7-16(24)12-20(15)25/h2-12,26H,13-14H2,1H3
InChIKey
RUVMKUNDXFOAJY-UHFFFAOYSA-N
Compound name
2-[[(2,4-dichlorophenyl)methylamino]methyl]-3-(4-methoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.08542 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09270 204.7
[M+Na]+ 462.07464 224.5
[M+NH4]+ 457.11924 212.9
[M+K]+ 478.04858 212.6
[M-H]- 438.07814 212.0
[M+Na-2H]- 460.06009 215.3
[M]+ 439.08487 210.6
[M]- 439.08597 210.6
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.