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 201.9
[M+Na]+ 466.05254 211.2
[M+NH4]+ 461.09714 206.5
[M+K]+ 482.02648 208.2
[M-H]- 442.05604 206.4
[M+Na-2H]- 464.03799 207.7
[M]+ 443.06277 203.7
[M]- 443.06387 203.7
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.