CID 248889

550-23-2

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=COC(=C1)C2C(N=C(N2)C3=CC=CO3)C4=CC=CO4
InChI
InChI=1S/C15H12N2O3/c1-4-10(18-7-1)13-14(11-5-2-8-19-11)17-15(16-13)12-6-3-9-20-12/h1-9,13-14H,(H,16,17)
InChIKey
VWGVUCWHPBULRD-UHFFFAOYSA-N
Compound name
2,4,5-tris(furan-2-yl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

153
Patents

268.08478 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 153.1
[M+Na]+ 291.07400 166.2
[M+NH4]+ 286.11860 160.8
[M+K]+ 307.04794 169.3
[M-H]- 267.07750 161.6
[M+Na-2H]- 289.05945 161.0
[M]+ 268.08423 157.4
[M]- 268.08533 157.4
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

patents stripe