CID 3044183

Brn 0288103

Structural Information

Molecular Formula
C10H12I2N2O4
SMILES
C1C(OC(CC12C(=O)NC(=O)NC2=O)CI)CI
InChI
InChI=1S/C10H12I2N2O4/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
YWRGVXVTYHBPCK-UHFFFAOYSA-N
Compound name
8,10-bis(iodomethyl)-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

477.88864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.89592 160.6
[M+Na]+ 500.87786 153.0
[M-H]- 476.88136 149.7
[M+NH4]+ 495.92246 164.4
[M+K]+ 516.85180 162.3
[M+H-H2O]+ 460.88590 148.3
[M+HCOO]- 522.88684 162.8
[M+CH3COO]- 536.90249 210.4
[M+Na-2H]- 498.86331 146.6
[M]+ 477.88809 150.9
[M]- 477.88919 150.9
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.