CID 4096623

140173-10-0

Structural Information

Molecular Formula
C28H25NOP
SMILES
CC(=O)NC(=CC1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H24NOP/c1-23(30)29-28(22-24-14-6-2-7-15-24)31(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-22H,1H3/p+1
InChIKey
PDTKXRINOMUTLC-UHFFFAOYSA-O
Compound name
(1-acetamido-2-phenylethenyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

422.1674 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17468 211.1
[M+Na]+ 445.15662 211.8
[M-H]- 421.16012 220.6
[M+NH4]+ 440.20122 218.5
[M+K]+ 461.13056 199.5
[M+H-H2O]+ 405.16466 199.7
[M+HCOO]- 467.16560 234.7
[M+CH3COO]- 481.18125 221.6
[M+Na-2H]- 443.14207 212.7
[M]+ 422.16685 205.8
[M]- 422.16795 205.8
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.