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 169.7
[M+Na]+ 343.11252 174.3
[M-H]- 319.11602 174.8
[M+NH4]+ 338.15712 181.8
[M+K]+ 359.08646 166.0
[M+H-H2O]+ 303.12056 164.8
[M+HCOO]- 365.12150 194.3
[M+CH3COO]- 379.13715 208.9
[M+Na-2H]- 341.09797 174.3
[M]+ 320.12275 164.2
[M]- 320.12385 164.2
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.