CID 229493

Nsc23219

Structural Information

Molecular Formula
C22H44N2O6P2
SMILES
CCCC1C(COP(=O)(O1)N2CC(N(CC2C)P3(=O)OCC(C(O3)CCC)CC)C)CC
InChI
InChI=1S/C22H44N2O6P2/c1-7-11-21-19(9-3)15-27-31(25,29-21)23-13-18(6)24(14-17(23)5)32(26)28-16-20(10-4)22(30-32)12-8-2/h17-22H,7-16H2,1-6H3
InChIKey
RROZLMYGJFJQTM-UHFFFAOYSA-N
Compound name
5-ethyl-2-[4-(5-ethyl-2-oxo-4-propyl-1,3,2lambda5-dioxaphosphinan-2-yl)-2,5-dimethylpiperazin-1-yl]-4-propyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.26746 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.27474 228.9
[M+Na]+ 517.25668 231.1
[M-H]- 493.26018 233.7
[M+NH4]+ 512.30128 232.7
[M+K]+ 533.23062 233.9
[M+H-H2O]+ 477.26472 214.5
[M+HCOO]- 539.26566 243.2
[M+CH3COO]- 553.28131 245.0
[M+Na-2H]- 515.24213 219.9
[M]+ 494.26691 230.6
[M]- 494.26801 230.6
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.