CID 63748

20866-06-2

Structural Information

Molecular Formula
C21H23N3O4
SMILES
COC1=CC=C(C=C1)N2CN(C3=CC=CC=C3C2=O)C(=O)CN4CCOCC4
InChI
InChI=1S/C21H23N3O4/c1-27-17-8-6-16(7-9-17)23-15-24(19-5-3-2-4-18(19)21(23)26)20(25)14-22-10-12-28-13-11-22/h2-9H,10-15H2,1H3
InChIKey
VBHDAOSSRZIUIX-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1-(2-morpholin-4-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 192.9
[M+Na]+ 404.15807 197.4
[M-H]- 380.16157 198.5
[M+NH4]+ 399.20267 198.9
[M+K]+ 420.13201 193.7
[M+H-H2O]+ 364.16611 180.1
[M+HCOO]- 426.16705 203.5
[M+CH3COO]- 440.18270 200.1
[M+Na-2H]- 402.14352 194.0
[M]+ 381.16830 190.1
[M]- 381.16940 190.1
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.