CID 15956790

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

Structural Information

Molecular Formula
C18H11BrCl2N6O
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=NC(=C(N=N3)C4=C(C(=CC=C4)Cl)Cl)N
InChI
InChI=1S/C18H11BrCl2N6O/c1-8-23-13-6-5-9(19)7-11(13)17(28)27(8)18-24-16(22)15(25-26-18)10-3-2-4-12(20)14(10)21/h2-7H,1H3,(H2,22,24,26)
InChIKey
CGUHODKJOSRWIR-UHFFFAOYSA-N
Compound name
3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6-bromo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

475.95547 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.96275 193.2
[M+Na]+ 498.94469 209.5
[M-H]- 474.94819 199.6
[M+NH4]+ 493.98929 201.1
[M+K]+ 514.91863 193.3
[M+H-H2O]+ 458.95273 188.4
[M+HCOO]- 520.95367 199.2
[M+CH3COO]- 534.96932 203.8
[M+Na-2H]- 496.93014 198.3
[M]+ 475.95492 215.3
[M]- 475.95602 215.3
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.