CID 56260

Antineoplaston a10

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1CC(=O)NC(=O)[C@H]1NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)/t10-/m0/s1
InChIKey
OQGRFQCUGLKSAV-JTQLQIEISA-N
Compound name
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

157
References

1699
Patents

246.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.4
[M+Na]+ 269.08967 159.4
[M-H]- 245.09317 157.8
[M+NH4]+ 264.13427 168.8
[M+K]+ 285.06361 155.7
[M+H-H2O]+ 229.09771 146.4
[M+HCOO]- 291.09865 173.3
[M+CH3COO]- 305.11430 191.5
[M+Na-2H]- 267.07512 157.5
[M]+ 246.09990 149.1
[M]- 246.10100 149.1
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

patents stripe