CID 165992460

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

Structural Information

Molecular Formula
C21H24N6O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NC3=CC(=CC=C3)OCCCCCCN=[N+]=[N-]
InChI
InChI=1S/C21H24N6O5/c22-26-23-10-3-1-2-4-11-32-15-7-5-6-14(12-15)24-16-13-19(29)27(21(16)31)17-8-9-18(28)25-20(17)30/h5-7,12-13,17,24H,1-4,8-11H2,(H,25,28,30)
InChIKey
OCMFBTOMIQKAGK-UHFFFAOYSA-N
Compound name
3-[3-[3-(6-azidohexoxy)anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.18082 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18810 202.8
[M+Na]+ 463.17004 211.2
[M+NH4]+ 458.21464 205.6
[M+K]+ 479.14398 209.3
[M-H]- 439.17354 207.5
[M+Na-2H]- 461.15549 206.2
[M]+ 440.18027 204.4
[M]- 440.18137 204.4
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.