CID 165715677

2742652-39-5

Structural Information

Molecular Formula
C17H24N6O7
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C17H24N6O7/c18-22-20-4-6-29-8-10-30-9-7-28-5-3-19-12-11-15(25)23(17(12)27)13-1-2-14(24)21-16(13)26/h11,13,19H,1-10H2,(H,21,24,26)
InChIKey
XULHMPPNPQBSBZ-UHFFFAOYSA-N
Compound name
3-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]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

424.17065 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17793 191.5
[M+Na]+ 447.15987 193.2
[M-H]- 423.16337 195.7
[M+NH4]+ 442.20447 198.8
[M+K]+ 463.13381 186.1
[M+H-H2O]+ 407.16791 185.3
[M+HCOO]- 469.16885 215.1
[M+CH3COO]- 483.18450 227.8
[M+Na-2H]- 445.14532 195.6
[M]+ 424.17010 191.2
[M]- 424.17120 191.2
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.