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

243
Patents

337.0062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.013476 165.3
[M+Na]+ 359.995418 179.4
[M-H]- 335.998924 171.4
[M+NH4]+ 355.040023 181.5
[M+K]+ 375.969358 166.6
[M+H-H2O]+ 320.003460 164.0
[M+HCOO]- 382.004401 181.1
[M+CH3COO]- 396.020051 178.6
[M+Na-2H]- 357.980866 168.5
[M]+ 337.00565142 183.6
[M]- 337.00674858 183.6
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