CID 3063661

Azacrown-tepa

Structural Information

Molecular Formula
C14H28N3O5P
SMILES
C1CN1P(=O)(N2CC2)N3CCOCCOCCOCCOCC3
InChI
InChI=1S/C14H28N3O5P/c18-23(15-1-2-15,16-3-4-16)17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-17/h1-14H2
InChIKey
HZJINMTVVVKUGS-UHFFFAOYSA-N
Compound name
13-[bis(aziridin-1-yl)phosphoryl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.17667 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18395 190.5
[M+Na]+ 372.16589 192.1
[M-H]- 348.16939 194.5
[M+NH4]+ 367.21049 182.7
[M+K]+ 388.13983 198.6
[M+H-H2O]+ 332.17393 183.3
[M+HCOO]- 394.17487 200.2
[M+CH3COO]- 408.19052 210.1
[M+Na-2H]- 370.15134 188.7
[M]+ 349.17612 188.4
[M]- 349.17722 188.4
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

No patent data available for this compound.