CID 29916

9020 hc

Structural Information

Molecular Formula
C28H66N4O6P2
SMILES
CC(C)OP(=O)(NCC[N+](C)(C)CCCCCCCC[N+](C)(C)CCNP(=O)(OC(C)C)OC(C)C)OC(C)C
InChI
InChI=1S/C28H66N4O6P2/c1-25(2)35-39(33,36-26(3)4)29-19-23-31(9,10)21-17-15-13-14-16-18-22-32(11,12)24-20-30-40(34,37-27(5)6)38-28(7)8/h25-28H,13-24H2,1-12H3,(H,29,33)(H,30,34)/q+2
InChIKey
NDHRVZOARACYJB-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yloxy)phosphorylamino]ethyl-[8-[2-[di(propan-2-yloxy)phosphorylamino]ethyl-dimethylazaniumyl]octyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

616.44574 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.45302 262.3
[M+Na]+ 639.43496 268.5
[M-H]- 615.43846 270.9
[M+NH4]+ 634.47956 273.6
[M+K]+ 655.40890 264.7
[M+H-H2O]+ 599.44300 234.3
[M+HCOO]- 661.44394 271.1
[M+CH3COO]- 675.45959 268.5
[M+Na-2H]- 637.42041 245.4
[M]+ 616.44519 254.8
[M]- 616.44629 254.8
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.