CID 13144124

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

Structural Information

Molecular Formula
C22H36N4O8
SMILES
C1CC(=O)N(C1=O)CN2CCOCCOCCN(CCOCCOCC2)CN3C(=O)CCC3=O
InChI
InChI=1S/C22H36N4O8/c27-19-1-2-20(28)25(19)17-23-5-9-31-13-15-33-11-7-24(8-12-34-16-14-32-10-6-23)18-26-21(29)3-4-22(26)30/h1-18H2
InChIKey
GPXJNOLGUCRNGZ-UHFFFAOYSA-N
Compound name
1-[[16-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.25333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.26061 207.4
[M+Na]+ 507.24255 211.9
[M+NH4]+ 502.28715 207.3
[M+K]+ 523.21649 215.3
[M-H]- 483.24605 212.5
[M+Na-2H]- 505.22800 205.0
[M]+ 484.25278 208.3
[M]- 484.25388 208.3
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.