CID 494201

5-(hydroxy(oxido)amino)-2-(2-(triphenylphosphoranyl)ethyl)-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C28H22N2O4P
SMILES
C1=CC=C(C=C1)[P+](CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H22N2O4P/c31-27-25-17-16-21(30(33)34)20-26(25)28(32)29(27)18-19-35(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,20H,18-19H2/q+1
InChIKey
WRRQPLMTPKZURZ-UHFFFAOYSA-N
Compound name
2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.1317 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.13898 221.2
[M+Na]+ 504.12092 223.0
[M-H]- 480.12442 231.7
[M+NH4]+ 499.16552 227.1
[M+K]+ 520.09486 207.6
[M+H-H2O]+ 464.12896 213.4
[M+HCOO]- 526.12990 243.6
[M+CH3COO]- 540.14555 225.2
[M+Na-2H]- 502.10637 224.7
[M]+ 481.13115 217.2
[M]- 481.13225 217.2
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

No patent data available for this compound.