CID 388208

Nsc682802

Structural Information

Molecular Formula
C16H32N7O5P3
SMILES
C1CN1P2(=NP3(=NP(=N2)(OCCOCCOCCOCCO3)N4CC4)N5CC5)N6CC6
InChI
InChI=1S/C16H32N7O5P3/c1-2-20(1)29(21-3-4-21)17-30(22-5-6-22)19-31(18-29,23-7-8-23)28-16-14-26-12-10-24-9-11-25-13-15-27-30/h1-16H2
InChIKey
BBNBPOLLQVUEKH-UHFFFAOYSA-N
Compound name
1,15,17,17-tetrakis(aziridin-1-yl)-2,5,8,11,14-pentaoxa-16,18,19-triaza-1lambda5,15lambda5,17lambda5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.1678 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.17508 231.1
[M+Na]+ 518.15702 226.4
[M-H]- 494.16052 230.3
[M+NH4]+ 513.20162 217.0
[M+K]+ 534.13096 239.1
[M+H-H2O]+ 478.16506 224.8
[M+HCOO]- 540.16600 232.3
[M+CH3COO]- 554.18165 225.9
[M+Na-2H]- 516.14247 219.1
[M]+ 495.16725 230.1
[M]- 495.16835 230.1
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.