CID 165999733

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

Structural Information

Molecular Formula
C20H22N6O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NC3=CC(=CC=C3)OCCCCCN=[N+]=[N-]
InChI
InChI=1S/C20H22N6O5/c21-25-22-9-2-1-3-10-31-14-6-4-5-13(11-14)23-15-12-18(28)26(20(15)30)16-7-8-17(27)24-19(16)29/h4-6,11-12,16,23H,1-3,7-10H2,(H,24,27,29)
InChIKey
NBRDWYPWLFDOBG-UHFFFAOYSA-N
Compound name
3-[3-[3-(5-azidopentoxy)anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.16516 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17244 197.5
[M+Na]+ 449.15438 200.3
[M-H]- 425.15788 205.2
[M+NH4]+ 444.19898 204.6
[M+K]+ 465.12832 190.6
[M+H-H2O]+ 409.16242 190.3
[M+HCOO]- 471.16336 220.9
[M+CH3COO]- 485.17901 229.5
[M+Na-2H]- 447.13983 200.6
[M]+ 426.16461 193.4
[M]- 426.16571 193.4
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.