CID 165990974

3-{3-[(4-azidobutyl)amino]-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl}piperidine-2,6-dione

Structural Information

Molecular Formula
C13H16N6O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NCCCCN=[N+]=[N-]
InChI
InChI=1S/C13H16N6O4/c14-18-16-6-2-1-5-15-8-7-11(21)19(13(8)23)9-3-4-10(20)17-12(9)22/h7,9,15H,1-6H2,(H,17,20,22)
InChIKey
YFFDBAUREMPUTG-UHFFFAOYSA-N
Compound name
3-[3-(4-azidobutylamino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1233 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13058 170.8
[M+Na]+ 343.11252 178.2
[M+NH4]+ 338.15712 174.4
[M+K]+ 359.08646 177.8
[M-H]- 319.11602 173.3
[M+Na-2H]- 341.09797 172.8
[M]+ 320.12275 171.5
[M]- 320.12385 171.5
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.