CID 165663598

2742652-31-7

Structural Information

Molecular Formula
C15H20N6O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C15H20N6O6/c16-20-18-4-6-27-8-7-26-5-3-17-10-9-13(23)21(15(10)25)11-1-2-12(22)19-14(11)24/h9,11,17H,1-8H2,(H,19,22,24)
InChIKey
UGVMBOBBQWORBI-UHFFFAOYSA-N
Compound name
3-[3-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14444 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15172 181.7
[M+Na]+ 403.13366 184.7
[M-H]- 379.13716 186.4
[M+NH4]+ 398.17826 191.0
[M+K]+ 419.10760 177.3
[M+H-H2O]+ 363.14170 176.0
[M+HCOO]- 425.14264 205.9
[M+CH3COO]- 439.15829 219.6
[M+Na-2H]- 401.11911 186.2
[M]+ 380.14389 179.4
[M]- 380.14499 179.4
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.