CID 494115

Nsc123174

Structural Information

Molecular Formula
C35H34N2O2P
SMILES
CCOC(=O)C(C(C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NNC5=CC=CC=C5
InChI
InChI=1S/C35H34N2O2P/c1-2-39-35(38)33(37-36-29-20-10-4-11-21-29)34(28-18-8-3-9-19-28)40(30-22-12-5-13-23-30,31-24-14-6-15-25-31)32-26-16-7-17-27-32/h3-27,33-34,36-37H,2H2,1H3/q+1
InChIKey
LABRGXZHIYVTRX-UHFFFAOYSA-N
Compound name
[3-ethoxy-3-oxo-1-phenyl-2-(2-phenylhydrazinyl)propyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.2358 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.24308 237.9
[M+Na]+ 568.22502 234.0
[M-H]- 544.22852 248.6
[M+NH4]+ 563.26962 238.5
[M+K]+ 584.19896 222.8
[M+H-H2O]+ 528.23306 223.9
[M+HCOO]- 590.23400 259.3
[M+CH3COO]- 604.24965 246.6
[M+Na-2H]- 566.21047 238.3
[M]+ 545.23525 232.2
[M]- 545.23635 232.2
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.