CID 338518

74285-99-7

Structural Information

Molecular Formula
C36H36N30P6
SMILES
C1=CN(N=C1)P2(=NP(=NP(=NP(=NP(=NP(=N2)(N3C=CC=N3)N4C=CC=N4)(N5C=CC=N5)N6C=CC=N6)(N7C=CC=N7)N8C=CC=N8)(N9C=CC=N9)N1C=CC=N1)(N1C=CC=N1)N1C=CC=N1)N1C=CC=N1
InChI
InChI=1S/C36H36N30P6/c1-13-37-55(25-1)67(56-26-2-14-38-56)49-68(57-27-3-15-39-57,58-28-4-16-40-58)51-70(61-31-7-19-43-61,62-32-8-20-44-62)53-72(65-35-11-23-47-65,66-36-12-24-48-66)54-71(63-33-9-21-45-63,64-34-10-22-46-64)52-69(50-67,59-29-5-17-41-59)60-30-6-18-42-60/h1-36H
InChIKey
GWFZNMJJENVUHG-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12-dodeca(pyrazol-1-yl)-1,3,5,7,9,11-hexaza-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1074.2166 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1075.2239 179.0
[M+Na]+ 1097.2058 191.0
[M-H]- 1073.2093 171.1
[M+NH4]+ 1092.2504 180.8
[M+K]+ 1113.1798 181.4
[M+H-H2O]+ 1057.2139 172.8
[M+HCOO]- 1119.2148 183.3
[M+CH3COO]- 1133.2305 186.6
[M+Na-2H]- 1095.1913 162.1
[M]+ 1074.2161 189.3
[M]- 1074.2171 189.3
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.