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 166.6
[M+Na]+ 467.95290 177.0
[M-H]- 443.95640 172.9
[M+NH4]+ 462.99750 180.3
[M+K]+ 483.92684 162.1
[M+H-H2O]+ 427.96094 172.1
[M+HCOO]- 489.96188 180.3
[M+CH3COO]- 503.97753 229.8
[M+Na-2H]- 465.93835 171.3
[M]+ 444.96313 205.1
[M]- 444.96423 205.1
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.