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]+ 349.16188 178.5
[M+Na]+ 371.14382 182.2
[M-H]- 347.14732 183.2
[M+NH4]+ 366.18842 189.4
[M+K]+ 387.11776 173.4
[M+H-H2O]+ 331.15186 173.1
[M+HCOO]- 393.15280 202.4
[M+CH3COO]- 407.16845 215.0
[M+Na-2H]- 369.12927 182.1
[M]+ 348.15405 173.6
[M]- 348.15515 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.