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]+ 400.237926 177.4
[M+Na]+ 422.219868 181.2
[M-H]- 398.223374 182.6
[M+NH4]+ 417.264473 194.1
[M+K]+ 438.193808 189.2
[M+H-H2O]+ 382.227910 163.4
[M+HCOO]- 444.228851 219.8
[M+CH3COO]- 458.244501 259.8
[M+Na-2H]- 420.205316 177.6
[M]+ 399.23010142 188.1
[M]- 399.23119858 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

literature stripe

Patent stripe

patents stripe