CID 3056616

73816-36-1

Structural Information

Molecular Formula
C12H18Br2N2O3
SMILES
CCNC(=O)C1C(C2C(C(C1O2)Br)Br)C(=O)NCC
InChI
InChI=1S/C12H18Br2N2O3/c1-3-15-11(17)5-6(12(18)16-4-2)10-8(14)7(13)9(5)19-10/h5-10H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
LRGGPRMVOVHODP-UHFFFAOYSA-N
Compound name
5,6-dibromo-2-N,3-N-diethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.9684 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.97568 178.5
[M+Na]+ 418.95762 186.7
[M-H]- 394.96112 184.4
[M+NH4]+ 414.00222 196.6
[M+K]+ 434.93156 172.0
[M+H-H2O]+ 378.96566 184.7
[M+HCOO]- 440.96660 190.9
[M+CH3COO]- 454.98225 221.5
[M+Na-2H]- 416.94307 178.8
[M]+ 395.96785 211.5
[M]- 395.96895 211.5
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.