CID 121158

Brn 1718235

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

5
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 200.0
[M+Na]+ 555.29678 202.6
[M-H]- 531.30028 202.8
[M+NH4]+ 550.34138 205.8
[M+K]+ 571.27072 208.0
[M+H-H2O]+ 515.30482 191.9
[M+HCOO]- 577.30576 219.3
[M+CH3COO]- 591.32141 269.4
[M+Na-2H]- 553.28223 195.6
[M]+ 532.30701 205.4
[M]- 532.30811 205.4
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.