CID 165649194

2751610-28-1

Structural Information

Molecular Formula
C13H16N6O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NCCOCCN=[N+]=[N-]
InChI
InChI=1S/C13H16N6O5/c14-18-16-4-6-24-5-3-15-8-7-11(21)19(13(8)23)9-1-2-10(20)17-12(9)22/h7,9,15H,1-6H2,(H,17,20,22)
InChIKey
WCILORGDDIHNKR-UHFFFAOYSA-N
Compound name
3-[3-[2-(2-azidoethoxy)ethylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11823 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12551 171.5
[M+Na]+ 359.10745 175.8
[M-H]- 335.11095 176.6
[M+NH4]+ 354.15205 182.8
[M+K]+ 375.08139 168.1
[M+H-H2O]+ 319.11549 166.4
[M+HCOO]- 381.11643 196.2
[M+CH3COO]- 395.13208 211.2
[M+Na-2H]- 357.09290 176.5
[M]+ 336.11768 167.3
[M]- 336.11878 167.3
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.