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 183.9
[M+Na]+ 529.96852 192.6
[M-H]- 505.97202 191.0
[M+NH4]+ 525.01312 194.5
[M+K]+ 545.94246 176.8
[M+H-H2O]+ 489.97656 188.8
[M+HCOO]- 551.97750 196.7
[M+CH3COO]- 565.99315 235.4
[M+Na-2H]- 527.95397 188.5
[M]+ 506.97875 220.6
[M]- 506.97985 220.6
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.