CID 75356197

8-bromo-4-methyl-1h,2h,3h,4h,5h-pyrido[2,3-b][1,4]diazepin-2-one

Structural Information

Molecular Formula
C9H10BrN3O
SMILES
CC1CC(=O)NC2=C(N1)N=CC(=C2)Br
InChI
InChI=1S/C9H10BrN3O/c1-5-2-8(14)13-7-3-6(10)4-11-9(7)12-5/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKey
PPRIEYBQUCZNPO-UHFFFAOYSA-N
Compound name
8-bromo-4-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.00072 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.007996 142.5
[M+Na]+ 277.989938 153.0
[M-H]- 253.993444 144.7
[M+NH4]+ 273.034543 158.5
[M+K]+ 293.963878 144.9
[M+H-H2O]+ 237.997980 141.1
[M+HCOO]- 299.998921 155.5
[M+CH3COO]- 314.014571 154.9
[M+Na-2H]- 275.975386 149.7
[M]+ 255.00017142 153.5
[M]- 255.00126858 153.5
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.