CID 6435954

4(3h)-quinazolinone, 3-phenyl-2-(2-(2-phenyl-1h-indol-3-yl)ethenyl)-

Structural Information

Molecular Formula
C30H21N3O
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/C4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6
InChI
InChI=1S/C30H21N3O/c34-30-25-16-8-10-18-27(25)31-28(33(30)22-13-5-2-6-14-22)20-19-24-23-15-7-9-17-26(23)32-29(24)21-11-3-1-4-12-21/h1-20,32H/b20-19+
InChIKey
IFZRHPCASRTLJG-FMQUCBEESA-N
Compound name
3-phenyl-2-[(E)-2-(2-phenyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.16846 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17574 211.1
[M+Na]+ 462.15768 220.7
[M-H]- 438.16118 220.6
[M+NH4]+ 457.20228 218.1
[M+K]+ 478.13162 208.9
[M+H-H2O]+ 422.16572 197.4
[M+HCOO]- 484.16666 228.0
[M+CH3COO]- 498.18231 218.9
[M+Na-2H]- 460.14313 214.0
[M]+ 439.16791 210.5
[M]- 439.16901 210.5
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.