CID 60393

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

Structural Information

Molecular Formula
C20H19Br2N3O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CNCC3=CC=CC=C3
InChI
InChI=1S/C20H19Br2N3O3/c1-13-24-19-16(9-15(21)10-17(19)22)20(27)25(13)7-8-28-18(26)12-23-11-14-5-3-2-4-6-14/h2-6,9-10,23H,7-8,11-12H2,1H3
InChIKey
CVXAXBDYMCJDCF-UHFFFAOYSA-N
Compound name
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(benzylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.9793 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.98658 187.5
[M+Na]+ 529.96852 183.3
[M+NH4]+ 525.01312 187.9
[M+K]+ 545.94246 188.4
[M-H]- 505.97202 188.8
[M+Na-2H]- 527.95397 188.3
[M]+ 506.97875 186.2
[M]- 506.97985 186.2
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.