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]+ 387.96548 156.0
[M+Na]+ 409.94742 167.7
[M-H]- 385.95092 162.7
[M+NH4]+ 404.99202 171.9
[M+K]+ 425.92136 152.2
[M+H-H2O]+ 369.95546 162.3
[M+HCOO]- 431.95640 170.7
[M+CH3COO]- 445.97205 222.6
[M+Na-2H]- 407.93287 162.4
[M]+ 386.95765 193.1
[M]- 386.95875 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.