CID 3066323

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

Structural Information

Molecular Formula
C14H15Br2N3O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CNC
InChI
InChI=1S/C14H15Br2N3O3/c1-8-18-13-10(5-9(15)6-11(13)16)14(21)19(8)3-4-22-12(20)7-17-2/h5-6,17H,3-4,7H2,1-2H3
InChIKey
HYAGOYJCFWHZHI-UHFFFAOYSA-N
Compound name
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(methylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.94803 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.95531 162.8
[M+Na]+ 453.93725 173.4
[M-H]- 429.94075 168.2
[M+NH4]+ 448.98185 176.5
[M+K]+ 469.91119 157.6
[M+H-H2O]+ 413.94529 168.6
[M+HCOO]- 475.94623 176.4
[M+CH3COO]- 489.96188 225.1
[M+Na-2H]- 451.92270 168.4
[M]+ 430.94748 200.1
[M]- 430.94858 200.1
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.