CID 63493

Brn 0898362

Structural Information

Molecular Formula
C22H18N2O3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C22H18N2O3/c25-19-11-10-15(14-20(19)26)12-13-24-21(16-6-2-1-3-7-16)23-18-9-5-4-8-17(18)22(24)27/h1-11,14,25-26H,12-13H2
InChIKey
VECRZOCLSBERFP-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.13174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13902 187.3
[M+Na]+ 381.12096 205.5
[M+NH4]+ 376.16556 194.7
[M+K]+ 397.09490 196.2
[M-H]- 357.12446 193.2
[M+Na-2H]- 379.10641 197.5
[M]+ 358.13119 191.8
[M]- 358.13229 191.8
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.