CID 3050268

66064-17-3

Structural Information

Molecular Formula
C15H17N3O5
SMILES
C1COCCN1CN2C(=O)CC(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H17N3O5/c19-14-9-13(11-2-1-3-12(8-11)18(21)22)15(20)17(14)10-16-4-6-23-7-5-16/h1-3,8,13H,4-7,9-10H2
InChIKey
OUFKBMNTEUCLPW-UHFFFAOYSA-N
Compound name
1-(morpholin-4-ylmethyl)-3-(3-nitrophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.11682 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12410 172.7
[M+Na]+ 342.10604 176.8
[M-H]- 318.10954 179.9
[M+NH4]+ 337.15064 183.0
[M+K]+ 358.07998 170.5
[M+H-H2O]+ 302.11408 167.7
[M+HCOO]- 364.11502 189.9
[M+CH3COO]- 378.13067 199.0
[M+Na-2H]- 340.09149 175.1
[M]+ 319.11627 167.6
[M]- 319.11737 167.6
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.