CID 498171

Nsc281625

Structural Information

Molecular Formula
C28H27NP
SMILES
C1C2=CC=CC=C2CN1CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H27NP/c1-4-14-26(15-5-1)30(27-16-6-2-7-17-27,28-18-8-3-9-19-28)21-20-29-22-24-12-10-11-13-25(24)23-29/h1-19H,20-23H2/q+1
InChIKey
FAIHOIRTFIQCJT-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroisoindol-2-yl)ethyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1881 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19538 209.0
[M+Na]+ 431.17732 211.6
[M-H]- 407.18082 218.3
[M+NH4]+ 426.22192 219.0
[M+K]+ 447.15126 198.3
[M+H-H2O]+ 391.18536 197.1
[M+HCOO]- 453.18630 230.7
[M+CH3COO]- 467.20195 218.3
[M+Na-2H]- 429.16277 210.0
[M]+ 408.18755 204.3
[M]- 408.18865 204.3
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.