CID 165991408

En300-37158775

Structural Information

Molecular Formula
C23H28N6O8
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NC3=CC(=CC=C3)OCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C23H28N6O8/c24-28-25-6-7-34-8-9-35-10-11-36-12-13-37-17-3-1-2-16(14-17)26-18-15-21(31)29(23(18)33)19-4-5-20(30)27-22(19)32/h1-3,14-15,19,26H,4-13H2,(H,27,30,32)
InChIKey
PNFVQKJJYROAAG-UHFFFAOYSA-N
Compound name
3-[3-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]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

516.19684 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.20412 214.0
[M+Na]+ 539.18606 214.1
[M-H]- 515.18956 221.1
[M+NH4]+ 534.23066 216.9
[M+K]+ 555.16000 206.3
[M+H-H2O]+ 499.19410 205.8
[M+HCOO]- 561.19504 236.7
[M+CH3COO]- 575.21069 245.2
[M+Na-2H]- 537.17151 217.4
[M]+ 516.19629 214.7
[M]- 516.19739 214.7
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.