CID 63596

77301-03-2

Structural Information

Molecular Formula
C15H19Br2N3O
SMILES
CCC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCNC(C)C
InChI
InChI=1S/C15H19Br2N3O/c1-4-13-19-14-11(7-10(16)8-12(14)17)15(21)20(13)6-5-18-9(2)3/h7-9,18H,4-6H2,1-3H3
InChIKey
BNHDBTHIFGSWJL-UHFFFAOYSA-N
Compound name
6,8-dibromo-2-ethyl-3-[2-(propan-2-ylamino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.9895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.99678 165.2
[M+Na]+ 437.97872 175.7
[M-H]- 413.98222 170.5
[M+NH4]+ 433.02332 179.6
[M+K]+ 453.95266 159.1
[M+H-H2O]+ 397.98676 171.2
[M+HCOO]- 459.98770 178.1
[M+CH3COO]- 474.00335 225.2
[M+Na-2H]- 435.96417 170.1
[M]+ 414.98895 201.3
[M]- 414.99005 201.3
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.