CID 63934

86804-50-4

Structural Information

Molecular Formula
C22H18N2O3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCC4=C(C=CC(=C4)O)O
InChI
InChI=1S/C22H18N2O3/c25-17-10-11-20(26)16(14-17)12-13-24-21(15-6-2-1-3-7-15)23-19-9-5-4-8-18(19)22(24)27/h1-11,14,25-26H,12-13H2
InChIKey
AZSLCICLUIZPFH-UHFFFAOYSA-N
Compound name
3-[2-(2,5-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 186.7
[M+Na]+ 381.12096 195.8
[M-H]- 357.12446 192.6
[M+NH4]+ 376.16556 195.9
[M+K]+ 397.09490 188.1
[M+H-H2O]+ 341.12900 175.6
[M+HCOO]- 403.12994 204.0
[M+CH3COO]- 417.14559 196.1
[M+Na-2H]- 379.10641 191.4
[M]+ 358.13119 187.1
[M]- 358.13229 187.1
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.