CID 64071

77300-85-7

Structural Information

Molecular Formula
C14H18BrN3O
SMILES
CCC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCN(C)C
InChI
InChI=1S/C14H18BrN3O/c1-4-13-16-12-6-5-10(15)9-11(12)14(19)18(13)8-7-17(2)3/h5-6,9H,4,7-8H2,1-3H3
InChIKey
NTPFYQLAOWJLLZ-UHFFFAOYSA-N
Compound name
6-bromo-3-[2-(dimethylamino)ethyl]-2-ethylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.06332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07060 164.5
[M+Na]+ 346.05254 176.9
[M-H]- 322.05604 170.6
[M+NH4]+ 341.09714 182.0
[M+K]+ 362.02648 165.3
[M+H-H2O]+ 306.06058 162.2
[M+HCOO]- 368.06152 184.0
[M+CH3COO]- 382.07717 211.8
[M+Na-2H]- 344.03799 171.0
[M]+ 323.06277 187.0
[M]- 323.06387 187.0
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.