CID 72601

Soaz

Structural Information

Molecular Formula
C10H20N8OP2S
SMILES
C1CN1P2(=NP(=NS(=N2)(=O)N3CC3)(N4CC4)N5CC5)N6CC6
InChI
InChI=1S/C10H20N8OP2S/c19-22(18-9-10-18)12-20(14-1-2-14,15-3-4-15)11-21(13-22,16-5-6-16)17-7-8-17/h1-10H2
InChIKey
IQMLWPPOVFMTOU-UHFFFAOYSA-N
Compound name
1,3,3,5,5-pentakis(aziridin-1-yl)-1lambda6-thia-2,4,6-triaza-3lambda5,5lambda5-diphosphacyclohexa-1,3,5-triene 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

17
Patents

362.0956 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10288 224.5
[M+Na]+ 385.08482 219.3
[M-H]- 361.08832 223.2
[M+NH4]+ 380.12942 215.1
[M+K]+ 401.05876 224.0
[M+H-H2O]+ 345.09286 221.1
[M+HCOO]- 407.09380 225.7
[M+CH3COO]- 421.10945 218.6
[M+Na-2H]- 383.07027 211.8
[M]+ 362.09505 223.8
[M]- 362.09615 223.8
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