CID 169276

4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane

Structural Information

Molecular Formula
C14H28N2O4
SMILES
C1COCCN2CCOCCN1CCOCCOCC2
InChI
InChI=1S/C14H28N2O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h1-14H2
InChIKey
LVNQVIZBPSRXAN-UHFFFAOYSA-N
Compound name
4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1435
Patents

288.2049 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 169.0
[M+Na]+ 311.19412 163.0
[M-H]- 287.19762 146.4
[M+NH4]+ 306.23872 175.3
[M+K]+ 327.16806 170.5
[M+H-H2O]+ 271.20216 169.9
[M+HCOO]- 333.20310 159.0
[M+CH3COO]- 347.21875 168.1
[M+Na-2H]- 309.17957 176.8
[M]+ 288.20435 163.9
[M]- 288.20545 163.9
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