CID 165990976

3-(3-{[3-(3-azidopropoxy)propyl]amino}-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C15H20N6O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NCCCOCCCN=[N+]=[N-]
InChI
InChI=1S/C15H20N6O5/c16-20-18-6-2-8-26-7-1-5-17-10-9-13(23)21(15(10)25)11-3-4-12(22)19-14(11)24/h9,11,17H,1-8H2,(H,19,22,24)
InChIKey
HLZONEAAYDLWOC-UHFFFAOYSA-N
Compound name
3-[3-[3-(3-azidopropoxy)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1495 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15678 180.2
[M+Na]+ 387.13872 183.6
[M-H]- 363.14222 184.9
[M+NH4]+ 382.18332 190.3
[M+K]+ 403.11266 175.4
[M+H-H2O]+ 347.14676 174.7
[M+HCOO]- 409.14770 204.3
[M+CH3COO]- 423.16335 217.3
[M+Na-2H]- 385.12417 184.2
[M]+ 364.14895 176.6
[M]- 364.15005 176.6
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.