CID 6435990

6,8-dibromo-3-(2-(2,5-dihydroxyphenyl)ethyl)-2-(2-phenylethenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C24H18Br2N2O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3Br)Br)C(=O)N2CCC4=C(C=CC(=C4)O)O
InChI
InChI=1S/C24H18Br2N2O3/c25-17-13-19-23(20(26)14-17)27-22(9-6-15-4-2-1-3-5-15)28(24(19)31)11-10-16-12-18(29)7-8-21(16)30/h1-9,12-14,29-30H,10-11H2/b9-6+
InChIKey
GWLAJTPETCLFLM-RMKNXTFCSA-N
Compound name
6,8-dibromo-3-[2-(2,5-dihydroxyphenyl)ethyl]-2-[(E)-2-phenylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.96844 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.97572 195.9
[M+Na]+ 562.95766 205.0
[M-H]- 538.96116 203.7
[M+NH4]+ 558.00226 204.5
[M+K]+ 578.93160 188.6
[M+H-H2O]+ 522.96570 201.2
[M+HCOO]- 584.96664 206.0
[M+CH3COO]- 598.98229 205.2
[M+Na-2H]- 560.94311 198.7
[M]+ 539.96789 230.2
[M]- 539.96899 230.2
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.