CID 498138

Schembl11535146

Structural Information

Molecular Formula
C29H24NO2P
SMILES
C1=CC=C(C=C1)P(=CCCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H24NO2P/c31-28-26-19-10-11-20-27(26)29(32)30(28)21-12-22-33(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-11,13-20,22H,12,21H2
InChIKey
NGMHKLBPMGQBFN-UHFFFAOYSA-N
Compound name
2-[3-(triphenyl-lambda5-phosphanylidene)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

449.15448 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.16176 213.5
[M+Na]+ 472.14370 218.4
[M-H]- 448.14720 223.4
[M+NH4]+ 467.18830 222.5
[M+K]+ 488.11764 210.2
[M+H-H2O]+ 432.15174 199.1
[M+HCOO]- 494.15268 236.2
[M+CH3COO]- 508.16833 221.1
[M+Na-2H]- 470.12915 210.8
[M]+ 449.15393 211.6
[M]- 449.15503 211.6
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