CID 3460095

49761-11-7

Structural Information

Molecular Formula
C12H19Br2NO5
SMILES
CCOC(=O)C(CC(CBr)Br)(C(=O)OCC)NC(=O)C
InChI
InChI=1S/C12H19Br2NO5/c1-4-19-10(17)12(15-8(3)16,6-9(14)7-13)11(18)20-5-2/h9H,4-7H2,1-3H3,(H,15,16)
InChIKey
HGRIJVNTCSZSGM-UHFFFAOYSA-N
Compound name
diethyl 2-acetamido-2-(2,3-dibromopropyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.963 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.97028 172.1
[M+Na]+ 437.95222 178.7
[M-H]- 413.95572 174.9
[M+NH4]+ 432.99682 186.4
[M+K]+ 453.92616 163.6
[M+H-H2O]+ 397.96026 177.2
[M+HCOO]- 459.96120 183.6
[M+CH3COO]- 473.97685 220.8
[M+Na-2H]- 435.93767 173.4
[M]+ 414.96245 208.0
[M]- 414.96355 208.0
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.