CID 508455

1h-benzimidazole, 2,2'-[2,5-furandiylbis(4,1-phenylene)]bis[3a,7a-dihydro-

Structural Information

Molecular Formula
C30H24N4O
SMILES
C1=CC2C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=CC=C(O4)C5=CC=C(C=C5)C6=NC7C=CC=CC7N6
InChI
InChI=1S/C30H24N4O/c1-2-6-24-23(5-1)31-29(32-24)21-13-9-19(10-14-21)27-17-18-28(35-27)20-11-15-22(16-12-20)30-33-25-7-3-4-8-26(25)34-30/h1-18,23-26H,(H,31,32)(H,33,34)
InChIKey
NUZKXSBHJPWLND-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(3a,7a-dihydro-1H-benzimidazol-2-yl)phenyl]furan-2-yl]phenyl]-3a,7a-dihydro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.195 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20228 203.6
[M+Na]+ 479.18422 210.5
[M-H]- 455.18772 215.1
[M+NH4]+ 474.22882 210.3
[M+K]+ 495.15816 201.6
[M+H-H2O]+ 439.19226 192.5
[M+HCOO]- 501.19320 216.1
[M+CH3COO]- 515.20885 210.9
[M+Na-2H]- 477.16967 199.0
[M]+ 456.19445 200.2
[M]- 456.19555 200.2
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.