CID 165992462

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

Structural Information

Molecular Formula
C21H24N6O7
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NC3=CC(=CC=C3)OCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C21H24N6O7/c22-26-23-6-7-32-8-9-33-10-11-34-15-3-1-2-14(12-15)24-16-13-19(29)27(21(16)31)17-4-5-18(28)25-20(17)30/h1-3,12-13,17,24H,4-11H2,(H,25,28,30)
InChIKey
OSFMQONBLUTJBQ-UHFFFAOYSA-N
Compound name
3-[3-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.17065 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.17793 204.6
[M+Na]+ 495.15987 206.1
[M-H]- 471.16337 212.2
[M+NH4]+ 490.20447 209.5
[M+K]+ 511.13381 197.8
[M+H-H2O]+ 455.16791 197.0
[M+HCOO]- 517.16885 228.0
[M+CH3COO]- 531.18450 237.1
[M+Na-2H]- 493.14532 208.3
[M]+ 472.17010 203.4
[M]- 472.17120 203.4
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.