CID 13144123

N,n'-bis-pyrrolidonomethyl-diaza-18-crown-6

Structural Information

Molecular Formula
C22H40N4O6
SMILES
C1CC(=O)N(C1)CN2CCOCCOCCN(CCOCCOCC2)CN3CCCC3=O
InChI
InChI=1S/C22H40N4O6/c27-21-3-1-5-25(21)19-23-7-11-29-15-17-31-13-9-24(20-26-6-2-4-22(26)28)10-14-32-18-16-30-12-8-23/h1-20H2
InChIKey
BDQGEALVJXBPFK-UHFFFAOYSA-N
Compound name
1-[[16-[(2-oxopyrrolidin-1-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2948 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.30208 205.2
[M+Na]+ 479.28402 210.1
[M+NH4]+ 474.32862 206.8
[M+K]+ 495.25796 211.8
[M-H]- 455.28752 211.5
[M+Na-2H]- 477.26947 204.0
[M]+ 456.29425 206.7
[M]- 456.29535 206.7
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.