CID 6435957

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

Structural Information

Molecular Formula
C30H19Cl2N3O
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)/C=C/C4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)Cl
InChI
InChI=1S/C30H19Cl2N3O/c31-20-11-9-19(10-12-20)29-24(23-5-1-3-7-26(23)34-29)17-18-28-33-27-8-4-2-6-25(27)30(36)35(28)22-15-13-21(32)14-16-22/h1-18,34H/b18-17+
InChIKey
GJYIMAABTTZGPH-ISLYRVAYSA-N
Compound name
3-(4-chlorophenyl)-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.0905 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.09778 225.1
[M+Na]+ 530.07972 237.3
[M-H]- 506.08322 233.7
[M+NH4]+ 525.12432 231.4
[M+K]+ 546.05366 224.6
[M+H-H2O]+ 490.08776 211.5
[M+HCOO]- 552.08870 232.2
[M+CH3COO]- 566.10435 232.2
[M+Na-2H]- 528.06517 225.1
[M]+ 507.08995 229.5
[M]- 507.09105 229.5
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.