CID 123438

31364-42-8

Structural Information

Molecular Formula
C16H32N2O5
SMILES
C1COCCN2CCOCCOCCN1CCOCCOCC2
InChI
InChI=1S/C16H32N2O5/c1-7-19-8-2-18-5-11-22-15-13-20-9-3-17(1)4-10-21-14-16-23-12-6-18/h1-16H2
InChIKey
HDLXPNDSLDLJHF-UHFFFAOYSA-N
Compound name
4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

622
Patents

332.2311 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23838 170.5
[M+Na]+ 355.22032 169.1
[M-H]- 331.22382 163.2
[M+NH4]+ 350.26492 171.6
[M+K]+ 371.19426 175.9
[M+H-H2O]+ 315.22836 170.2
[M+HCOO]- 377.22930 169.7
[M+CH3COO]- 391.24495 174.3
[M+Na-2H]- 353.20577 175.5
[M]+ 332.23055 161.0
[M]- 332.23165 161.0
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