CID 135564546

Qfk6an3pue

Structural Information

Molecular Formula
C17H10BrCl2N5O
SMILES
CC1=CC(=CC2=C1N=C(NC2=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)Br)Cl
InChI
InChI=1S/C17H10BrCl2N5O/c1-8-5-9(19)6-10-14(8)22-15(23-17(10)26)12-7-13(18)24-25(12)16-11(20)3-2-4-21-16/h2-7H,1H3,(H,22,23,26)
InChIKey
SKGIOUHBCKFJRT-UHFFFAOYSA-N
Compound name
2-[5-bromo-2-(3-chloropyridin-2-yl)pyrazol-3-yl]-6-chloro-8-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

448.94458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.95186 197.6
[M+Na]+ 471.93380 207.7
[M+NH4]+ 466.97840 201.1
[M+K]+ 487.90774 205.4
[M-H]- 447.93730 199.8
[M+Na-2H]- 469.91925 202.6
[M]+ 448.94403 199.3
[M]- 448.94513 199.3
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

patents stripe