CID 76958691

Taglutimide

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
4
Annotation Hits

5
References

326
Patents

276.111 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 164.0
[M+Na]+ 299.100218 171.5
[M-H]- 275.103724 167.3
[M+NH4]+ 294.144823 184.6
[M+K]+ 315.074158 167.2
[M+H-H2O]+ 259.108260 159.4
[M+HCOO]- 321.109201 177.1
[M+CH3COO]- 335.124851 174.5
[M+Na-2H]- 297.085666 159.5
[M]+ 276.11045142 159.7
[M]- 276.11154858 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.