CID 15956791

3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6-bromo-2-phenyl-quinazolin-4-one

Structural Information

Molecular Formula
C23H13BrCl2N6O
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=NC(=C(N=N4)C5=C(C(=CC=C5)Cl)Cl)N
InChI
InChI=1S/C23H13BrCl2N6O/c24-13-9-10-17-15(11-13)22(33)32(21(28-17)12-5-2-1-3-6-12)23-29-20(27)19(30-31-23)14-7-4-8-16(25)18(14)26/h1-11H,(H2,27,29,31)
InChIKey
YREROWPLYITRFY-UHFFFAOYSA-N
Compound name
3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6-bromo-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

537.9711 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.97838 210.3
[M+Na]+ 560.96032 225.0
[M-H]- 536.96382 218.8
[M+NH4]+ 556.00492 215.0
[M+K]+ 576.93426 208.6
[M+H-H2O]+ 520.96836 203.7
[M+HCOO]- 582.96930 215.5
[M+CH3COO]- 596.98495 219.2
[M+Na-2H]- 558.94577 215.0
[M]+ 537.97055 231.4
[M]- 537.97165 231.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.