CID 13611383

3-(triphenylphosphoranylidene)-2,5-pyrrolidinedione

Structural Information

Molecular Formula
C22H18NO2P
SMILES
C1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC1=O
InChI
InChI=1S/C22H18NO2P/c24-21-16-20(22(25)23-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,23,24,25)
InChIKey
GNAVAQXUNJPBEW-UHFFFAOYSA-N
Compound name
3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

359.1075 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11478 185.9
[M+Na]+ 382.09672 190.7
[M-H]- 358.10022 194.2
[M+NH4]+ 377.14132 197.2
[M+K]+ 398.07066 183.6
[M+H-H2O]+ 342.10476 173.6
[M+HCOO]- 404.10570 209.2
[M+CH3COO]- 418.12135 209.4
[M+Na-2H]- 380.08217 184.1
[M]+ 359.10695 180.2
[M]- 359.10805 180.2
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