CID 63937

88514-20-9

Structural Information

Molecular Formula
C24H18BrN3O2
SMILES
COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CN4C=NC5=C(C4=O)C=C(C=C5)Br
InChI
InChI=1S/C24H18BrN3O2/c1-30-17-9-6-15(7-10-17)23-20(18-4-2-3-5-22(18)27-23)13-28-14-26-21-11-8-16(25)12-19(21)24(28)29/h2-12,14,27H,13H2,1H3
InChIKey
BCMHLWVGNRQENA-UHFFFAOYSA-N
Compound name
6-bromo-3-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.05823 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.06551 204.8
[M+Na]+ 482.04745 218.0
[M-H]- 458.05095 214.5
[M+NH4]+ 477.09205 216.3
[M+K]+ 498.02139 203.7
[M+H-H2O]+ 442.05549 201.0
[M+HCOO]- 504.05643 220.9
[M+CH3COO]- 518.07208 215.7
[M+Na-2H]- 480.03290 208.9
[M]+ 459.05768 226.0
[M]- 459.05878 226.0
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.