CID 63305

88514-46-9

Structural Information

Molecular Formula
C23H15BrClN3O
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)CN4C=NC5=C(C4=O)C=C(C=C5)Br
InChI
InChI=1S/C23H15BrClN3O/c24-15-7-10-20-18(11-15)23(29)28(13-26-20)12-19-17-3-1-2-4-21(17)27-22(19)14-5-8-16(25)9-6-14/h1-11,13,27H,12H2
InChIKey
KZIOIHAOXMSMLJ-UHFFFAOYSA-N
Compound name
6-bromo-3-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.0087 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.01598 204.8
[M+Na]+ 485.99792 215.1
[M+NH4]+ 481.04252 209.9
[M+K]+ 501.97186 211.3
[M-H]- 462.00142 209.4
[M+Na-2H]- 483.98337 210.8
[M]+ 463.00815 207.1
[M]- 463.00925 207.1
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.