CID 498161

Nsc265474

Structural Information

Molecular Formula
C29H25NO2P
SMILES
CC1=CC2=C(C=C1)C(=O)N(C2=O)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H25NO2P/c1-22-17-18-26-27(21-22)29(32)30(28(26)31)19-20-33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-18,21H,19-20H2,1H3/q+1
InChIKey
NVGWLGWUZPWTLK-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1623 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.16958 219.2
[M+Na]+ 473.15152 224.0
[M-H]- 449.15502 229.8
[M+NH4]+ 468.19612 228.0
[M+K]+ 489.12546 211.1
[M+H-H2O]+ 433.15956 207.4
[M+HCOO]- 495.16050 241.2
[M+CH3COO]- 509.17615 226.6
[M+Na-2H]- 471.13697 218.4
[M]+ 450.16175 217.3
[M]- 450.16285 217.3
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.