CID 462432

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

Structural Information

Molecular Formula
C26H30N4O3
SMILES
C1C[N+](=C(N1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C5=[N+](CCN5)CCO)CCO
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/h1-10,31-32H,11-18H2/p+2
InChIKey
MPHIQIHLCFLKQR-UHFFFAOYSA-P
Compound name
2-[2-[4-[5-[4-[3-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium-2-yl]phenyl]furan-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.23178 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.23906 209.7
[M+Na]+ 469.22100 212.8
[M-H]- 445.22450 217.5
[M+NH4]+ 464.26560 213.1
[M+K]+ 485.19494 195.4
[M+H-H2O]+ 429.22904 204.1
[M+HCOO]- 491.22998 220.6
[M+CH3COO]- 505.24563 207.7
[M+Na-2H]- 467.20645 208.4
[M]+ 446.23123 204.1
[M]- 446.23233 204.1
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.