CID 508457

1h-imidazole-1-ethanol, 2,2'-[2,5-furandiylbis(4,1-phenylene)]bis[2,3-dihydro-

Structural Information

Molecular Formula
C26H28N4O3
SMILES
C1=CC(=CC=C1C2NC=CN2CCO)C3=CC=C(O3)C4=CC=C(C=C4)C5NC=CN5CCO
InChI
InChI=1S/C26H28N4O3/c31-17-15-29-13-11-27-25(29)21-5-1-19(2-6-21)23-9-10-24(33-23)20-3-7-22(8-4-20)26-28-12-14-30(26)16-18-32/h1-14,25-28,31-32H,15-18H2
InChIKey
PWGRYXWBLXMQCR-UHFFFAOYSA-N
Compound name
2-[2-[4-[5-[4-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-2-yl]phenyl]furan-2-yl]phenyl]-1,2-dihydroimidazol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.21616 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.22344 201.5
[M+Na]+ 467.20538 206.1
[M-H]- 443.20888 209.1
[M+NH4]+ 462.24998 205.9
[M+K]+ 483.17932 199.1
[M+H-H2O]+ 427.21342 191.4
[M+HCOO]- 489.21436 213.7
[M+CH3COO]- 503.23001 208.0
[M+Na-2H]- 465.19083 194.8
[M]+ 444.21561 198.6
[M]- 444.21671 198.6
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.