CID 3069708

Morpholine, 4-((4-oxo-2-(phenoxymethyl)-3(4h)-quinazolinyl)acetyl)-

Structural Information

Molecular Formula
C21H21N3O4
SMILES
C1COCCN1C(=O)CN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4
InChI
InChI=1S/C21H21N3O4/c25-20(23-10-12-27-13-11-23)14-24-19(15-28-16-6-2-1-3-7-16)22-18-9-5-4-8-17(18)21(24)26/h1-9H,10-15H2
InChIKey
ZZBDGACMXXQYAD-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-yl-2-oxoethyl)-2-(phenoxymethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1532 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 190.5
[M+Na]+ 402.14242 196.1
[M-H]- 378.14592 196.5
[M+NH4]+ 397.18702 196.5
[M+K]+ 418.11636 191.9
[M+H-H2O]+ 362.15046 177.5
[M+HCOO]- 424.15140 203.9
[M+CH3COO]- 438.16705 198.4
[M+Na-2H]- 400.12787 194.3
[M]+ 379.15265 190.0
[M]- 379.15375 190.0
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.