CID 138491537

2300099-98-1

Structural Information

Molecular Formula
C13H12BrN3O3
SMILES
CN1C2=C(C=CC(=C2)Br)N(C1=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C13H12BrN3O3/c1-16-10-6-7(14)2-3-8(10)17(13(16)20)9-4-5-11(18)15-12(9)19/h2-3,6,9H,4-5H2,1H3,(H,15,18,19)
InChIKey
JTRNEHBIODAOTJ-UHFFFAOYSA-N
Compound name
3-(5-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

337.0062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01348 171.0
[M+Na]+ 359.99542 174.9
[M+NH4]+ 355.04002 173.5
[M+K]+ 375.96936 176.6
[M-H]- 335.99892 170.4
[M+Na-2H]- 357.98087 171.8
[M]+ 337.00565 170.0
[M]- 337.00675 170.0
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

patents stripe