CID 213170

25648-71-9

Structural Information

Molecular Formula
C15H24Br2N2O6
SMILES
CC(C)C(C(C)COC(=O)NC(=O)C(C)Br)OC(=O)NC(=O)C(C)Br
InChI
InChI=1S/C15H24Br2N2O6/c1-7(2)11(25-15(23)19-13(21)10(5)17)8(3)6-24-14(22)18-12(20)9(4)16/h7-11H,6H2,1-5H3,(H,18,20,22)(H,19,21,23)
InChIKey
ZHWPDMSUHBICJO-UHFFFAOYSA-N
Compound name
[3-(2-bromopropanoylcarbamoyloxy)-2,4-dimethylpentyl] N-(2-bromopropanoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.00012 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.00740 173.2
[M+Na]+ 508.98934 162.3
[M+NH4]+ 504.03394 245.5
[M+K]+ 524.96328 172.8
[M-H]- 484.99284 169.6
[M+Na-2H]- 506.97479 168.9
[M]+ 485.99957 168.9
[M]- 486.00067 168.9
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.