CID 165992461

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

Structural Information

Molecular Formula
C19H20N6O6
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NC3=CC(=CC=C3)OCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H20N6O6/c20-24-21-6-7-30-8-9-31-13-3-1-2-12(10-13)22-14-11-17(27)25(19(14)29)15-4-5-16(26)23-18(15)28/h1-3,10-11,15,22H,4-9H2,(H,23,26,28)
InChIKey
FNXLBGPFRWALGI-UHFFFAOYSA-N
Compound name
3-[3-[3-[2-(2-azidoethoxy)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

428.14444 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15172 194.8
[M+Na]+ 451.13366 197.7
[M-H]- 427.13716 202.8
[M+NH4]+ 446.17826 201.7
[M+K]+ 467.10760 188.9
[M+H-H2O]+ 411.14170 187.7
[M+HCOO]- 473.14264 218.7
[M+CH3COO]- 487.15829 228.9
[M+Na-2H]- 449.11911 198.9
[M]+ 428.14389 191.7
[M]- 428.14499 191.7
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.