CID 165990978

3-(3-{[3-(4-azidobutoxy)phenyl]amino}-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)piperidine-2,6-dione

Structural Information

Molecular Formula
C19H20N6O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C=C(C2=O)NC3=CC(=CC=C3)OCCCCN=[N+]=[N-]
InChI
InChI=1S/C19H20N6O5/c20-24-21-8-1-2-9-30-13-5-3-4-12(10-13)22-14-11-17(27)25(19(14)29)15-6-7-16(26)23-18(15)28/h3-5,10-11,15,22H,1-2,6-9H2,(H,23,26,28)
InChIKey
JHIJKSWIEOHCKZ-UHFFFAOYSA-N
Compound name
3-[3-[3-(4-azidobutoxy)anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1495 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15678 193.2
[M+Na]+ 435.13872 196.4
[M-H]- 411.14222 201.2
[M+NH4]+ 430.18332 200.9
[M+K]+ 451.11266 187.0
[M+H-H2O]+ 395.14676 186.3
[M+HCOO]- 457.14770 217.0
[M+CH3COO]- 471.16335 226.6
[M+Na-2H]- 433.12417 196.8
[M]+ 412.14895 188.8
[M]- 412.15005 188.8
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.