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 219.5
[M+Na]+ 492.16824 229.0
[M-H]- 468.17174 229.2
[M+NH4]+ 487.21284 225.4
[M+K]+ 508.14218 218.0
[M+H-H2O]+ 452.17628 205.5
[M+HCOO]- 514.17722 236.0
[M+CH3COO]- 528.19287 226.9
[M+Na-2H]- 490.15369 221.2
[M]+ 469.17847 220.8
[M]- 469.17957 220.8
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.