CID 6435972

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

Structural Information

Molecular Formula
C30H20ClN3O
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)/C=C/C4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)Cl
InChI
InChI=1S/C30H20ClN3O/c31-21-14-16-22(17-15-21)34-28(32-27-13-7-5-11-25(27)30(34)35)19-18-24-23-10-4-6-12-26(23)33-29(24)20-8-2-1-3-9-20/h1-19,33H/b19-18+
InChIKey
QCSZMOJNNSNYJN-VHEBQXMUSA-N
Compound name
3-(4-chlorophenyl)-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

473.1295 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.13678 219.1
[M+Na]+ 496.11872 230.3
[M-H]- 472.12222 228.5
[M+NH4]+ 491.16332 226.0
[M+K]+ 512.09266 217.7
[M+H-H2O]+ 456.12676 205.4
[M+HCOO]- 518.12770 231.4
[M+CH3COO]- 532.14335 226.7
[M+Na-2H]- 494.10417 220.7
[M]+ 473.12895 221.5
[M]- 473.13005 221.5
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.