CID 174056

Ombtp

Structural Information

Molecular Formula
C26H29NO2P
SMILES
C1COCCN1CCC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H29NO2P/c28-23(16-17-27-18-20-29-21-19-27)22-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15H,16-22H2/q+1
InChIKey
SSZXKAZJYOGZNB-UHFFFAOYSA-N
Compound name
(4-morpholin-4-yl-2-oxobutyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20088 210.0
[M+Na]+ 441.18282 209.4
[M-H]- 417.18632 217.9
[M+NH4]+ 436.22742 215.0
[M+K]+ 457.15676 199.4
[M+H-H2O]+ 401.19086 197.5
[M+HCOO]- 463.19180 228.0
[M+CH3COO]- 477.20745 218.2
[M+Na-2H]- 439.16827 211.1
[M]+ 418.19305 204.1
[M]- 418.19415 204.1
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.