CID 165999734

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

Structural Information

Molecular Formula
C21H24N6O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NC3=CC(=CC=C3)OCCCOCCCN=[N+]=[N-]
InChI
InChI=1S/C21H24N6O6/c22-26-23-8-2-9-32-10-3-11-33-15-5-1-4-14(12-15)24-16-13-19(29)27(21(16)31)17-6-7-18(28)25-20(17)30/h1,4-5,12-13,17,24H,2-3,6-11H2,(H,25,28,30)
InChIKey
GHUNEGVPMDMWKD-UHFFFAOYSA-N
Compound name
3-[3-[3-[3-(3-azidopropoxy)propoxy]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.17572 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18300 203.3
[M+Na]+ 479.16494 205.2
[M-H]- 455.16844 210.9
[M+NH4]+ 474.20954 209.0
[M+K]+ 495.13888 196.1
[M+H-H2O]+ 439.17298 195.8
[M+HCOO]- 501.17392 226.5
[M+CH3COO]- 515.18957 234.8
[M+Na-2H]- 477.15039 206.5
[M]+ 456.17517 200.8
[M]- 456.17627 200.8
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.