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

39
Patents

339.99713 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00441 167.1
[M+Na]+ 362.98635 181.7
[M-H]- 338.98985 170.8
[M+NH4]+ 358.03095 182.0
[M+K]+ 378.96029 168.3
[M+H-H2O]+ 322.99439 164.5
[M+HCOO]- 384.99533 180.7
[M+CH3COO]- 399.01098 179.6
[M+Na-2H]- 360.97180 169.9
[M]+ 339.99658 183.9
[M]- 339.99768 183.9
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

patents stripe