CID 165715676

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

Structural Information

Molecular Formula
C15H20N6O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NCCCCCCN=[N+]=[N-]
InChI
InChI=1S/C15H20N6O4/c16-20-18-8-4-2-1-3-7-17-10-9-13(23)21(15(10)25)11-5-6-12(22)19-14(11)24/h9,11,17H,1-8H2,(H,19,22,24)
InChIKey
GGSNQXDIKUCSDD-UHFFFAOYSA-N
Compound name
3-[3-(6-azidohexylamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1546 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.161876 178.5
[M+Na]+ 371.143818 182.2
[M-H]- 347.147324 183.2
[M+NH4]+ 366.188423 189.4
[M+K]+ 387.117758 173.4
[M+H-H2O]+ 331.151860 173.1
[M+HCOO]- 393.152801 202.4
[M+CH3COO]- 407.168451 215.0
[M+Na-2H]- 369.129266 182.1
[M]+ 348.15405142 173.6
[M]- 348.15514858 173.6
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.