CID 63589

Brn 5643347

Structural Information

Molecular Formula
C22H14Br2N4O
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC(=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)15-6-4-5-13(9-15)21-26-18-7-2-3-8-19(18)27-21/h2-11H,1H3,(H,26,27)
InChIKey
DDESXFOZDVTATJ-UHFFFAOYSA-N
Compound name
3-[3-(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 188.6
[M+Na]+ 530.94265 200.8
[M-H]- 506.94615 197.5
[M+NH4]+ 525.98725 199.3
[M+K]+ 546.91659 185.1
[M+H-H2O]+ 490.95069 195.1
[M+HCOO]- 552.95163 200.0
[M+CH3COO]- 566.96728 199.4
[M+Na-2H]- 528.92810 193.2
[M]+ 507.95288 223.7
[M]- 507.95398 223.7
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.