CID 63168

Brn 5643198

Structural Information

Molecular Formula
C22H14Br2N4O
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=C(C=C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C22H14Br2N4O/c1-12-25-20-16(10-14(23)11-17(20)24)22(29)28(12)15-8-6-13(7-9-15)21-26-18-4-2-3-5-19(18)27-21/h2-11H,1H3,(H,26,27)
InChIKey
ZAIRXOYJBQNJBR-UHFFFAOYSA-N
Compound name
3-[4-(1H-benzimidazol-2-yl)phenyl]-6,8-dibromo-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.95343 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.96071 196.2
[M+Na]+ 530.94265 195.0
[M+NH4]+ 525.98725 197.5
[M+K]+ 546.91659 199.4
[M-H]- 506.94615 198.8
[M+Na-2H]- 528.92810 198.1
[M]+ 507.95288 196.0
[M]- 507.95398 196.0
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.