CID 63769

Brn 0921554

Structural Information

Molecular Formula
C13H9BrN4O
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=NC=CC=N3
InChI
InChI=1S/C13H9BrN4O/c1-8-17-11-4-3-9(14)7-10(11)12(19)18(8)13-15-5-2-6-16-13/h2-7H,1H3
InChIKey
SQHNLKSUWTUUIE-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-3-pyrimidin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.99597 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.00325 159.9
[M+Na]+ 338.98519 174.5
[M-H]- 314.98869 165.7
[M+NH4]+ 334.02979 174.3
[M+K]+ 354.95913 161.6
[M+H-H2O]+ 298.99323 157.1
[M+HCOO]- 360.99417 177.1
[M+CH3COO]- 375.00982 173.5
[M+Na-2H]- 336.97064 169.6
[M]+ 315.99542 180.1
[M]- 315.99652 180.1
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.