CID 60391

110009-12-6

Structural Information

Molecular Formula
C20H19Br2N3O3
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CN(C)C3=CC=CC=C3
InChI
InChI=1S/C20H19Br2N3O3/c1-13-23-19-16(10-14(21)11-17(19)22)20(27)25(13)8-9-28-18(26)12-24(2)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3
InChIKey
IRSNNOQZOLGNLH-UHFFFAOYSA-N
Compound name
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(N-methylanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.9793 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.98658 183.9
[M+Na]+ 529.96852 179.7
[M+NH4]+ 525.01312 184.4
[M+K]+ 545.94246 185.3
[M-H]- 505.97202 185.4
[M+Na-2H]- 527.95397 185.1
[M]+ 506.97875 182.6
[M]- 506.97985 182.6
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.