CID 138491636

2304754-51-4

Structural Information

Molecular Formula
C13H12BrN3O3
SMILES
CN1C2=C(C=CC=C2Br)N(C1=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C13H12BrN3O3/c1-16-11-7(14)3-2-4-8(11)17(13(16)20)9-5-6-10(18)15-12(9)19/h2-4,9H,5-6H2,1H3,(H,15,18,19)
InChIKey
RMODNRAIBFTCEC-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
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 165.3
[M+Na]+ 359.99542 179.4
[M-H]- 335.99892 171.4
[M+NH4]+ 355.04002 181.5
[M+K]+ 375.96936 166.6
[M+H-H2O]+ 320.00346 164.0
[M+HCOO]- 382.00440 181.1
[M+CH3COO]- 396.02005 178.6
[M+Na-2H]- 357.98087 168.5
[M]+ 337.00565 183.6
[M]- 337.00675 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