CID 14161766

3-(triphenylphosphoranylidene)piperidine-2,6-dione

Structural Information

Molecular Formula
C23H20NO2P
SMILES
C1CC(=O)NC(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20NO2P/c25-22-17-16-21(23(26)24-22)27(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25,26)
InChIKey
LQIQVBSIUIGZRU-UHFFFAOYSA-N
Compound name
3-(triphenyl-lambda5-phosphanylidene)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.12317 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13045 190.7
[M+Na]+ 396.11239 194.2
[M-H]- 372.11589 198.0
[M+NH4]+ 391.15699 199.3
[M+K]+ 412.08633 186.8
[M+H-H2O]+ 356.12043 177.1
[M+HCOO]- 418.12137 211.2
[M+CH3COO]- 432.13702 213.1
[M+Na-2H]- 394.09784 190.1
[M]+ 373.12262 182.9
[M]- 373.12372 182.9
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