CID 173512

Omptp

Structural Information

Molecular Formula
C25H27NO2P
SMILES
C1COCCN1CC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27NO2P/c27-22(20-26-16-18-28-19-17-26)21-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15H,16-21H2/q+1
InChIKey
MUCMGZGWEJMVGZ-UHFFFAOYSA-N
Compound name
(3-morpholin-4-yl-2-oxopropyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

404.17795 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18523 205.3
[M+Na]+ 427.16717 205.2
[M-H]- 403.17067 213.5
[M+NH4]+ 422.21177 211.0
[M+K]+ 443.14111 195.5
[M+H-H2O]+ 387.17521 193.2
[M+HCOO]- 449.17615 223.7
[M+CH3COO]- 463.19180 215.3
[M+Na-2H]- 425.15262 207.0
[M]+ 404.17740 199.2
[M]- 404.17850 199.2
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.