CID 3007939

2-[4-[5-(4-nitrophenyl)-2-furyl]phenyl]-6-tetrahydropyran-2-yl-1h-benzimidazole

Structural Information

Molecular Formula
C28H23N3O4
SMILES
C1CCOC(C1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C5=CC=C(O5)C6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C28H23N3O4/c32-31(33)22-11-8-19(9-12-22)27-15-14-26(35-27)18-4-6-20(7-5-18)28-29-23-13-10-21(17-24(23)30-28)25-3-1-2-16-34-25/h4-15,17,25H,1-3,16H2,(H,29,30)
InChIKey
KWLRXPWBFDJDSB-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-nitrophenyl)furan-2-yl]phenyl]-6-(oxan-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

465.16885 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.17613 208.1
[M+Na]+ 488.15807 211.8
[M-H]- 464.16157 222.2
[M+NH4]+ 483.20267 212.1
[M+K]+ 504.13201 202.9
[M+H-H2O]+ 448.16611 201.0
[M+HCOO]- 510.16705 224.2
[M+CH3COO]- 524.18270 225.7
[M+Na-2H]- 486.14352 209.2
[M]+ 465.16830 204.8
[M]- 465.16940 204.8
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.