CID 135461893

1-carbamoylmethyl-3-benzylaminomethylenepyrrolidine-2,4-dione

Structural Information

Molecular Formula
C14H15N3O3
SMILES
C1C(=C(C(=O)N1CC(=O)N)C=NCC2=CC=CC=C2)O
InChI
InChI=1S/C14H15N3O3/c15-13(19)9-17-8-12(18)11(14(17)20)7-16-6-10-4-2-1-3-5-10/h1-5,7,18H,6,8-9H2,(H2,15,19)
InChIKey
LCHGCEBPLPEKAY-UHFFFAOYSA-N
Compound name
2-[4-(benzyliminomethyl)-3-hydroxy-5-oxo-2H-pyrrol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11133 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 161.1
[M+Na]+ 296.10055 167.9
[M-H]- 272.10405 166.4
[M+NH4]+ 291.14515 176.8
[M+K]+ 312.07449 164.3
[M+H-H2O]+ 256.10859 152.9
[M+HCOO]- 318.10953 185.2
[M+CH3COO]- 332.12518 201.8
[M+Na-2H]- 294.08600 162.5
[M]+ 273.11078 160.3
[M]- 273.11188 160.3
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.