CID 165990975

3-[3-(15-azido-4,7,10,13-tetraoxa-1-azapentadecan-1-yl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl]piperidine-2,6-dione

Structural Information

Molecular Formula
C19H28N6O8
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H28N6O8/c20-24-22-4-6-31-8-10-33-12-11-32-9-7-30-5-3-21-14-13-17(27)25(19(14)29)15-1-2-16(26)23-18(15)28/h13,15,21H,1-12H2,(H,23,26,28)
InChIKey
WNODZNVVMIQXEY-UHFFFAOYSA-N
Compound name
3-[3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.19687 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.20415 200.9
[M+Na]+ 491.18609 201.3
[M-H]- 467.18959 204.7
[M+NH4]+ 486.23069 206.2
[M+K]+ 507.16003 194.5
[M+H-H2O]+ 451.19413 194.1
[M+HCOO]- 513.19507 223.9
[M+CH3COO]- 527.21072 235.9
[M+Na-2H]- 489.17154 204.6
[M]+ 468.19632 202.5
[M]- 468.19742 202.5
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.