CID 498166

Nsc268699

Structural Information

Molecular Formula
C28H23NO2P
SMILES
C1=CC=C(C=C1)[P+](CCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H23NO2P/c30-27-25-18-10-11-19-26(25)28(31)29(27)20-21-32(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19H,20-21H2/q+1
InChIKey
IHKDMQNGHRYOBO-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

436.14664 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15392 214.4
[M+Na]+ 459.13586 218.8
[M-H]- 435.13936 224.7
[M+NH4]+ 454.18046 223.5
[M+K]+ 475.10980 206.0
[M+H-H2O]+ 419.14390 202.6
[M+HCOO]- 481.14484 236.7
[M+CH3COO]- 495.16049 222.6
[M+Na-2H]- 457.12131 214.7
[M]+ 436.14609 211.7
[M]- 436.14719 211.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe