CID 6435981

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

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]+ 385.15468 194.9
[M+Na]+ 407.13662 203.5
[M-H]- 383.14012 200.4
[M+NH4]+ 402.18122 203.0
[M+K]+ 423.11056 194.8
[M+H-H2O]+ 367.14466 183.4
[M+HCOO]- 429.14560 211.6
[M+CH3COO]- 443.16125 203.4
[M+Na-2H]- 405.12207 198.5
[M]+ 384.14685 195.1
[M]- 384.14795 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.