CID 5845

Apholate

Structural Information

Molecular Formula
C12H24N9P3
SMILES
C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7
InChI
InChI=1S/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2
InChIKey
PXZAWHSJYIECNQ-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexakis(aziridin-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

2694
Patents

387.13675 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.14403 126.2
[M+Na]+ 410.12597 129.3
[M+NH4]+ 405.17057 128.3
[M+K]+ 426.09991 131.8
[M-H]- 386.12947 131.5
[M+Na-2H]- 408.11142 132.5
[M]+ 387.13620 128.9
[M]- 387.13730 128.9
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