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]+ 320.124096 172.7
[M+Na]+ 342.106038 176.8
[M-H]- 318.109544 179.9
[M+NH4]+ 337.150643 183.0
[M+K]+ 358.079978 170.5
[M+H-H2O]+ 302.114080 167.7
[M+HCOO]- 364.115021 189.9
[M+CH3COO]- 378.130671 199.0
[M+Na-2H]- 340.091486 175.1
[M]+ 319.11627142 167.6
[M]- 319.11736858 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.