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]+ 256.00800 142.5
[M+Na]+ 277.98994 153.0
[M-H]- 253.99344 144.7
[M+NH4]+ 273.03454 158.5
[M+K]+ 293.96388 144.9
[M+H-H2O]+ 237.99798 141.1
[M+HCOO]- 299.99892 155.5
[M+CH3COO]- 314.01457 154.9
[M+Na-2H]- 275.97539 149.7
[M]+ 255.00017 153.5
[M]- 255.00127 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.