CID 121158

1678-56-4

Structural Information

Molecular Formula
C16H48N12P4
SMILES
CN(C)P1(=NP(=NP(=NP(=N1)(N(C)C)N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C)N(C)C
InChI
InChI=1S/C16H48N12P4/c1-21(2)29(22(3)4)17-30(23(5)6,24(7)8)19-32(27(13)14,28(15)16)20-31(18-29,25(9)10)26(11)12/h1-16H3
InChIKey
XOVVJOHABVJIHP-UHFFFAOYSA-N
Compound name
2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N',8-N,8-N,8-N',8-N'-hexadecamethyl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

532.30756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.31484 217.5
[M+Na]+ 555.29678 217.7
[M+NH4]+ 550.34138 218.8
[M+K]+ 571.27072 214.1
[M-H]- 531.30028 217.8
[M+Na-2H]- 553.28223 217.3
[M]+ 532.30701 217.5
[M]- 532.30811 217.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe