CID 162726296

2760850-50-6

Structural Information

Molecular Formula

C₁₂H₁₀BrFN₄O₂

SMILES

CN1C2=CC(=C(C=C2C(=N1)N3CCC(=O)NC3=O)F)Br

InChI

InChI=1S/C12H10BrFN4O2/c1-17-9-5-7(13)8(14)4-6(9)11(16-17)18-3-2-10(19)15-12(18)20/h4-5H,2-3H2,1H3,(H,15,19,20)

InChIKey

KFKVWUYFOMKILO-UHFFFAOYSA-N

Compound name

1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 339.99713 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.004406	167.1
[M+Na]+	362.986348	181.7
[M-H]-	338.989854	170.8
[M+NH4]+	358.030953	182.0
[M+K]+	378.960288	168.3
[M+H-H2O]+	322.994390	164.5
[M+HCOO]-	384.995331	180.7
[M+CH3COO]-	399.010981	179.6
[M+Na-2H]-	360.971796	169.9
[M]+	339.99658142	183.9
[M]-	339.99767858	183.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe