CID 498159

Nsc263156

Structural Information

Molecular Formula
C31H29NO2P
SMILES
CC1=CC=C(C=C1)[P+](CCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=C(C=C4)C)C5=CC=C(C=C5)C
InChI
InChI=1S/C31H29NO2P/c1-22-8-14-25(15-9-22)35(26-16-10-23(2)11-17-26,27-18-12-24(3)13-19-27)21-20-32-30(33)28-6-4-5-7-29(28)31(32)34/h4-19H,20-21H2,1-3H3/q+1
InChIKey
YZZFUQPCDUMLIC-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)ethyl-tris(4-methylphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.1936 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.20088 228.6
[M+Na]+ 501.18282 234.1
[M-H]- 477.18632 239.5
[M+NH4]+ 496.22742 236.8
[M+K]+ 517.15676 221.1
[M+H-H2O]+ 461.19086 216.7
[M+HCOO]- 523.19180 249.8
[M+CH3COO]- 537.20745 234.6
[M+Na-2H]- 499.16827 225.5
[M]+ 478.19305 228.1
[M]- 478.19415 228.1
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.