CID 3062897

8,10-bis(bromomethyl)-9-oxa-2,4-diazaspiro(5.5)undecane-1,3,5-trione

Structural Information

Molecular Formula
C10H12Br2N2O4
SMILES
C1C(OC(CC12C(=O)NC(=O)NC2=O)CBr)CBr
InChI
InChI=1S/C10H12Br2N2O4/c11-3-5-1-10(2-6(4-12)18-5)7(15)13-9(17)14-8(10)16/h5-6H,1-4H2,(H2,13,14,15,16,17)
InChIKey
BDLJQCBYIGIHDN-UHFFFAOYSA-N
Compound name
8,10-bis(bromomethyl)-9-oxa-2,4-diazaspiro[5.5]undecane-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.91638 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.92366 153.9
[M+Na]+ 404.90560 162.4
[M-H]- 380.90910 157.9
[M+NH4]+ 399.95020 167.8
[M+K]+ 420.87954 147.5
[M+H-H2O]+ 364.91364 162.0
[M+HCOO]- 426.91458 160.6
[M+CH3COO]- 440.93023 209.2
[M+Na-2H]- 402.89105 158.7
[M]+ 381.91583 183.3
[M]- 381.91693 183.3
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.