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 201.7
[M+Na]+ 463.17004 204.0
[M-H]- 439.17354 209.3
[M+NH4]+ 458.21464 208.2
[M+K]+ 479.14398 194.2
[M+H-H2O]+ 423.17808 194.4
[M+HCOO]- 485.17902 224.8
[M+CH3COO]- 499.19467 232.5
[M+Na-2H]- 461.15549 204.4
[M]+ 440.18027 198.0
[M]- 440.18137 198.0
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.