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
(1R,2R,6S,7S)-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

193
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 164.1
[M+Na]+ 299.10022 170.7
[M+NH4]+ 294.14482 170.6
[M+K]+ 315.07416 172.3
[M-H]- 275.10372 162.8
[M+Na-2H]- 297.08567 160.8
[M]+ 276.11045 164.0
[M]- 276.11155 164.0
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.