CID 366217

Nsc634544

Structural Information

Molecular Formula
C29H25N2O2P
SMILES
COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N=NC4=CC=CC=C4C=C
InChI
InChI=1S/C29H25N2O2P/c1-3-23-15-13-14-22-27(23)30-31-28(29(32)33-2)34(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h3-22H,1H2,2H3
InChIKey
FCPCAWSMKGCUOX-UHFFFAOYSA-N
Compound name
methyl 2-[(2-ethenylphenyl)diazenyl]-2-(triphenyl-lambda5-phosphanylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.16537 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.17265 215.7
[M+Na]+ 487.15459 217.7
[M-H]- 463.15809 227.8
[M+NH4]+ 482.19919 222.8
[M+K]+ 503.12853 212.0
[M+H-H2O]+ 447.16263 200.4
[M+HCOO]- 509.16357 244.0
[M+CH3COO]- 523.17922 242.1
[M+Na-2H]- 485.14004 215.5
[M]+ 464.16482 215.0
[M]- 464.16592 215.0
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.