CID 498174

Nsc291111

Structural Information

Molecular Formula
C24H25NO4P
SMILES
CC(C(=O)O)NC(=O)OCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H24NO4P/c1-19(23(26)27)25-24(28)29-17-18-30(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3,(H-,25,26,27,28)/p+1
InChIKey
OZOHAHXTDZMUKB-UHFFFAOYSA-O
Compound name
2-(1-carboxyethylcarbamoyloxy)ethyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.15213 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.15941 206.6
[M+Na]+ 445.14135 206.9
[M-H]- 421.14485 212.5
[M+NH4]+ 440.18595 213.9
[M+K]+ 461.11529 197.7
[M+H-H2O]+ 405.14939 196.8
[M+HCOO]- 467.15033 229.1
[M+CH3COO]- 481.16598 217.9
[M+Na-2H]- 443.12680 207.8
[M]+ 422.15158 204.7
[M]- 422.15268 204.7
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.