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]+ 274.118606 161.1
[M+Na]+ 296.100548 167.9
[M-H]- 272.104054 166.4
[M+NH4]+ 291.145153 176.8
[M+K]+ 312.074488 164.3
[M+H-H2O]+ 256.108590 152.9
[M+HCOO]- 318.109531 185.2
[M+CH3COO]- 332.125181 201.8
[M+Na-2H]- 294.085996 162.5
[M]+ 273.11078142 160.3
[M]- 273.11187858 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.