CID 6435971

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

Structural Information

Molecular Formula
C31H23N3O
SMILES
CC1=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/C31H23N3O/c1-21-15-17-23(18-16-21)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)22-9-3-2-4-10-22/h2-20,33H,1H3/b20-19+
InChIKey
OKWQHTNCEGEERB-FMQUCBEESA-N
Compound name
3-(4-methylphenyl)-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

453.1841 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.19138 216.8
[M+Na]+ 476.17332 226.7
[M-H]- 452.17682 226.4
[M+NH4]+ 471.21792 223.5
[M+K]+ 492.14726 214.8
[M+H-H2O]+ 436.18136 203.0
[M+HCOO]- 498.18230 233.2
[M+CH3COO]- 512.19795 224.4
[M+Na-2H]- 474.15877 218.4
[M]+ 453.18355 216.8
[M]- 453.18465 216.8
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.