CID 3040409

52161-26-9

Structural Information

Molecular Formula
C12H24N6O10P4S
SMILES
C1CN1P(=O)(N2CC2)OP(=O)(N3CC3)OS(=O)(=O)OP(=O)(N4CC4)OP(=O)(N5CC5)N6CC6
InChI
InChI=1S/C12H24N6O10P4S/c19-29(13-1-2-13,14-3-4-14)25-31(21,17-9-10-17)27-33(23,24)28-32(22,18-11-12-18)26-30(20,15-5-6-15)16-7-8-16/h1-12H2
InChIKey
MKQKUFONNRQYQO-UHFFFAOYSA-N
Compound name
bis[aziridin-1-yl-[bis(aziridin-1-yl)phosphoryloxy]phosphoryl] sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.0225 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.02978 201.4
[M+Na]+ 591.01172 193.6
[M-H]- 567.01522 199.4
[M+NH4]+ 586.05632 191.8
[M+K]+ 606.98566 195.6
[M+H-H2O]+ 551.01976 199.3
[M+HCOO]- 613.02070 201.5
[M+CH3COO]- 627.03635 252.1
[M+Na-2H]- 588.99717 192.3
[M]+ 568.02195 200.7
[M]- 568.02305 200.7
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.