CID 6435981

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

Structural Information

Molecular Formula
C24H20N2O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC4=C(C=CC(=C4)O)O
InChI
InChI=1S/C24H20N2O3/c27-19-11-12-22(28)18(16-19)14-15-26-23(13-10-17-6-2-1-3-7-17)25-21-9-5-4-8-20(21)24(26)29/h1-13,16,27-28H,14-15H2/b13-10+
InChIKey
NTQUHIUPPLTPJX-JLHYYAGUSA-N
Compound name
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

384.1474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.154676 194.9
[M+Na]+ 407.136618 203.5
[M-H]- 383.140124 200.4
[M+NH4]+ 402.181223 203.0
[M+K]+ 423.110558 194.8
[M+H-H2O]+ 367.144660 183.4
[M+HCOO]- 429.145601 211.6
[M+CH3COO]- 443.161251 203.4
[M+Na-2H]- 405.122066 198.5
[M]+ 384.14685142 195.1
[M]- 384.14794858 195.1
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.