CID 96563

Dipin

Structural Information

Molecular Formula
C12H24N6O2P2
SMILES
C1CN1P(=O)(N2CC2)N3CCN(CC3)P(=O)(N4CC4)N5CC5
InChI
InChI=1S/C12H24N6O2P2/c19-21(15-5-6-15,16-7-8-16)13-1-2-14(4-3-13)22(20,17-9-10-17)18-11-12-18/h1-12H2
InChIKey
RWNNRGBCWXOVAC-UHFFFAOYSA-N
Compound name
1,4-bis[bis(aziridin-1-yl)phosphoryl]piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

55
References

1034
Patents

346.1436 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.150876 236.0
[M+Na]+ 369.132818 232.9
[M-H]- 345.136324 236.0
[M+NH4]+ 364.177423 225.8
[M+K]+ 385.106758 232.3
[M+H-H2O]+ 329.140860 228.2
[M+HCOO]- 391.141801 242.4
[M+CH3COO]- 405.157451 234.6
[M+Na-2H]- 367.118266 223.8
[M]+ 346.14305142 234.2
[M]- 346.14414858 234.2
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