CID 29914

9019 hc

Structural Information

Molecular Formula
C26H62N4O6P2
SMILES
CC(C)OP(=O)(NCC[N+](C)(C)CCCCCC[N+](C)(C)CCNP(=O)(OC(C)C)OC(C)C)OC(C)C
InChI
InChI=1S/C26H62N4O6P2/c1-23(2)33-37(31,34-24(3)4)27-17-21-29(9,10)19-15-13-14-16-20-30(11,12)22-18-28-38(32,35-25(5)6)36-26(7)8/h23-26H,13-22H2,1-12H3,(H,27,31)(H,28,32)/q+2
InChIKey
AQYBWNDLOUIXPN-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yloxy)phosphorylamino]ethyl-[6-[2-[di(propan-2-yloxy)phosphorylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.4145 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.42178 255.6
[M+Na]+ 611.40372 262.3
[M-H]- 587.40722 265.0
[M+NH4]+ 606.44832 267.1
[M+K]+ 627.37766 257.7
[M+H-H2O]+ 571.41176 228.0
[M+HCOO]- 633.41270 265.3
[M+CH3COO]- 647.42835 263.1
[M+Na-2H]- 609.38917 239.7
[M]+ 588.41395 248.3
[M]- 588.41505 248.3
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.