CID 3865767

378753-71-0

Structural Information

Molecular Formula
C19H17N3O5
SMILES
C1=COC(=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC=CO4
InChI
InChI=1S/C19H17N3O5/c23-17(14-5-2-11-27-14)15-16(13-4-1-10-26-13)22(19(25)18(15)24)8-3-7-21-9-6-20-12-21/h1-2,4-6,9-12,16,24H,3,7-8H2
InChIKey
DWLBMFZWOYSOKW-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.11682 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12410 178.8
[M+Na]+ 390.10604 187.3
[M-H]- 366.10954 190.6
[M+NH4]+ 385.15064 190.4
[M+K]+ 406.07998 186.7
[M+H-H2O]+ 350.11408 172.5
[M+HCOO]- 412.11502 200.3
[M+CH3COO]- 426.13067 190.7
[M+Na-2H]- 388.09149 174.5
[M]+ 367.11627 185.5
[M]- 367.11737 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.