CID 3066322

4-morpholineacetic a cid, 2-(6,8-dibromo-2-methyl-4-oxo-3(4h)-quinazolinyl)ethyl ester

Structural Information

Molecular Formula
C17H19Br2N3O4
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CN3CCOCC3
InChI
InChI=1S/C17H19Br2N3O4/c1-11-20-16-13(8-12(18)9-14(16)19)17(24)22(11)4-7-26-15(23)10-21-2-5-25-6-3-21/h8-9H,2-7,10H2,1H3
InChIKey
JWUARNGYSMSMPM-UHFFFAOYSA-N
Compound name
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-morpholin-4-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.97424 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.98152 177.2
[M+Na]+ 509.96346 185.6
[M-H]- 485.96696 183.6
[M+NH4]+ 505.00806 186.7
[M+K]+ 525.93740 172.1
[M+H-H2O]+ 469.97150 183.0
[M+HCOO]- 531.97244 185.5
[M+CH3COO]- 545.98809 229.7
[M+Na-2H]- 507.94891 181.1
[M]+ 486.97369 212.8
[M]- 486.97479 212.8
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.