CID 366006

Nsc634179

Structural Information

Molecular Formula
C30H22NO2P
SMILES
C#CC1=CC(=CC=C1)N2C(=O)CC(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C2=O
InChI
InChI=1S/C30H22NO2P/c1-2-23-13-12-14-24(21-23)31-29(32)22-28(30(31)33)34(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h1,3-21H,22H2
InChIKey
WLQAJIYXFXMHPV-UHFFFAOYSA-N
Compound name
1-(3-ethynylphenyl)-3-(triphenyl-lambda5-phosphanylidene)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.13882 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.14610 219.3
[M+Na]+ 482.12804 227.6
[M-H]- 458.13154 226.7
[M+NH4]+ 477.17264 225.1
[M+K]+ 498.10198 214.4
[M+H-H2O]+ 442.13608 199.1
[M+HCOO]- 504.13702 235.4
[M+CH3COO]- 518.15267 224.5
[M+Na-2H]- 480.11349 212.4
[M]+ 459.13827 209.1
[M]- 459.13937 209.1
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.