CID 457795

Nsc641473

Structural Information

Molecular Formula
C24H56N4O4P4
SMILES
CC(C)N(C(C)C)P1OP(OP(OP(O1)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChI
InChI=1S/C24H56N4O4P4/c1-17(2)25(18(3)4)33-29-34(26(19(5)6)20(7)8)31-36(28(23(13)14)24(15)16)32-35(30-33)27(21(9)10)22(11)12/h17-24H,1-16H3
InChIKey
XNIBLJCVKIUPTH-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N,8-N,8-N-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetraphosphocane-2,4,6,8-tetramine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.3252 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.33248 314.9
[M+Na]+ 611.31442 324.6
[M-H]- 587.31792 321.6
[M+NH4]+ 606.35902 326.2
[M+K]+ 627.28836 321.6
[M+H-H2O]+ 571.32246 311.4
[M+HCOO]- 633.32340 317.8
[M+CH3COO]- 647.33905 269.7
[M+Na-2H]- 609.29987 310.9
[M]+ 588.32465 312.7
[M]- 588.32575 312.7
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.