CID 63898

77300-83-5

Structural Information

Molecular Formula
C13H15Br2N3O
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCN(C)C
InChI
InChI=1S/C13H15Br2N3O/c1-8-16-12-10(6-9(14)7-11(12)15)13(19)18(8)5-4-17(2)3/h6-7H,4-5H2,1-3H3
InChIKey
PDJLJYXRIWNIMW-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-[2-(dimethylamino)ethyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.9582 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.965476 156.0
[M+Na]+ 409.947418 167.7
[M-H]- 385.950924 162.7
[M+NH4]+ 404.992023 171.9
[M+K]+ 425.921358 152.2
[M+H-H2O]+ 369.955460 162.3
[M+HCOO]- 431.956401 170.7
[M+CH3COO]- 445.972051 222.6
[M+Na-2H]- 407.932866 162.4
[M]+ 386.95765142 193.1
[M]- 386.95874858 193.1
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.