CID 6435944

Brn 0725356

Structural Information

Molecular Formula
C24H18Cl2N2O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3Cl)Cl)C(=O)N2CCC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C24H18Cl2N2O3/c25-17-13-18-23(19(26)14-17)27-22(9-7-15-4-2-1-3-5-15)28(24(18)31)11-10-16-6-8-20(29)21(30)12-16/h1-9,12-14,29-30H,10-11H2/b9-7+
InChIKey
RYHALDIUGKSIIZ-VQHVLOKHSA-N
Compound name
6,8-dichloro-3-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(E)-2-phenylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.06946 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.07674 205.2
[M+Na]+ 475.05868 216.5
[M-H]- 451.06218 210.3
[M+NH4]+ 470.10328 212.7
[M+K]+ 491.03262 206.4
[M+H-H2O]+ 435.06672 195.0
[M+HCOO]- 497.06766 212.3
[M+CH3COO]- 511.08331 213.3
[M+Na-2H]- 473.04413 206.2
[M]+ 452.06891 210.3
[M]- 452.07001 210.3
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.