CID 3066325

N,n-dimethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4h)-quinazolinyl)ethyl ester

Structural Information

Molecular Formula
C15H17Br2N3O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CN(C)C
InChI
InChI=1S/C15H17Br2N3O3/c1-9-18-14-11(6-10(16)7-12(14)17)15(22)20(9)4-5-23-13(21)8-19(2)3/h6-7H,4-5,8H2,1-3H3
InChIKey
VZQCKRHNNLWQOU-UHFFFAOYSA-N
Compound name
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(dimethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.96368 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.97096 171.9
[M+Na]+ 467.95290 166.8
[M+NH4]+ 462.99750 172.3
[M+K]+ 483.92684 173.4
[M-H]- 443.95640 171.9
[M+Na-2H]- 465.93835 171.8
[M]+ 444.96313 170.0
[M]- 444.96423 170.0
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.