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 204.1
[M+Na]+ 507.24255 203.5
[M-H]- 483.24605 208.7
[M+NH4]+ 502.28715 199.7
[M+K]+ 523.21649 206.5
[M+H-H2O]+ 467.25059 199.5
[M+HCOO]- 529.25153 206.3
[M+CH3COO]- 543.26718 224.7
[M+Na-2H]- 505.22800 194.5
[M]+ 484.25278 194.8
[M]- 484.25388 194.8
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.