CID 494190

65273-47-4

Structural Information

Molecular Formula
C30H27NO2P
SMILES
C1=CC=C(C=C1)[P+](CCCCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H27NO2P/c32-29-27-20-10-11-21-28(27)30(33)31(29)22-12-13-23-34(24-14-4-1-5-15-24,25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-11,14-21H,12-13,22-23H2/q+1
InChIKey
ZBZWQPDBFWXHJV-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)butyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

464.17795 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.18523 213.9
[M+Na]+ 487.16717 231.9
[M+NH4]+ 482.21177 222.9
[M+K]+ 503.14111 223.4
[M-H]- 463.17067 223.7
[M+Na-2H]- 485.15262 225.8
[M]+ 464.17740 219.9
[M]- 464.17850 219.9
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

No patent data available for this compound.