CID 63644

88514-19-6

Structural Information

Molecular Formula
C24H18BrN3O
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CN4C=NC5=C(C4=O)C=C(C=C5)Br
InChI
InChI=1S/C24H18BrN3O/c1-15-6-8-16(9-7-15)23-20(18-4-2-3-5-22(18)27-23)13-28-14-26-21-11-10-17(25)12-19(21)24(28)29/h2-12,14,27H,13H2,1H3
InChIKey
RJXUUGUGFQTKEZ-UHFFFAOYSA-N
Compound name
6-bromo-3-[[2-(4-methylphenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.06332 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.07060 202.5
[M+Na]+ 466.05254 216.0
[M-H]- 442.05604 212.2
[M+NH4]+ 461.09714 214.8
[M+K]+ 482.02648 201.0
[M+H-H2O]+ 426.06058 198.9
[M+HCOO]- 488.06152 218.5
[M+CH3COO]- 502.07717 213.6
[M+Na-2H]- 464.03799 206.5
[M]+ 443.06277 222.5
[M]- 443.06387 222.5
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.