CID 76958691

Biglumide

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)[C@@H]4CCC(=O)NC4=O
InChI
InChI=1S/C14H16N2O4/c17-9-4-3-8(12(18)15-9)16-13(19)10-6-1-2-7(5-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18)/t6-,7+,8-,10-,11+/m1/s1
InChIKey
URPJPYAYMWPUPR-BEBVASNESA-N
Compound name
(1S,2S,6R,7R)-4-[(3R)-2,6-dioxopiperidin-3-yl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

302
Patents

276.111 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 164.0
[M+Na]+ 299.10022 171.5
[M-H]- 275.10372 167.3
[M+NH4]+ 294.14482 184.6
[M+K]+ 315.07416 167.2
[M+H-H2O]+ 259.10826 159.4
[M+HCOO]- 321.10920 177.1
[M+CH3COO]- 335.12485 174.5
[M+Na-2H]- 297.08567 159.5
[M]+ 276.11045 159.7
[M]- 276.11155 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.