CID 6435955

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

Structural Information

Molecular Formula
C31H23N3O2
SMILES
COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=C(NC5=CC=CC=C54)C6=CC=CC=C6
InChI
InChI=1S/C31H23N3O2/c1-36-23-17-15-22(16-18-23)34-29(32-28-14-8-6-12-26(28)31(34)35)20-19-25-24-11-5-7-13-27(24)33-30(25)21-9-3-2-4-10-21/h2-20,33H,1H3/b20-19+
InChIKey
ISJGKUKMSMUUPM-FMQUCBEESA-N
Compound name
3-(4-methoxyphenyl)-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

469.17902 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.18630 219.6
[M+Na]+ 492.16824 240.5
[M+NH4]+ 487.21284 227.3
[M+K]+ 508.14218 229.9
[M-H]- 468.17174 228.4
[M+Na-2H]- 490.15369 231.3
[M]+ 469.17847 225.5
[M]- 469.17957 225.5
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.