CID 72590

Hexakis(dimethylamino)cyclotriphosphazene

Structural Information

Molecular Formula
C12H36N9P3
SMILES
CN(C)P1(=NP(=NP(=N1)(N(C)C)N(C)C)(N(C)C)N(C)C)N(C)C
InChI
InChI=1S/C12H36N9P3/c1-16(2)22(17(3)4)13-23(18(5)6,19(7)8)15-24(14-22,20(9)10)21(11)12/h1-12H3
InChIKey
QHWPLUOEZFAMJC-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'-dodecamethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

399.23065 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23793 177.4
[M+Na]+ 422.21987 181.2
[M-H]- 398.22337 182.6
[M+NH4]+ 417.26447 194.1
[M+K]+ 438.19381 189.2
[M+H-H2O]+ 382.22791 163.4
[M+HCOO]- 444.22885 219.8
[M+CH3COO]- 458.24450 259.8
[M+Na-2H]- 420.20532 177.6
[M]+ 399.23010 188.1
[M]- 399.23120 188.1
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.