CID 78489

4751-43-3

Structural Information

Molecular Formula
C20H16N4O
SMILES
CN1C2=CC=CC=C2N=C1C3=CC=C(O3)C4=NC5=CC=CC=C5N4C
InChI
InChI=1S/C20H16N4O/c1-23-15-9-5-3-7-13(15)21-19(23)17-11-12-18(25-17)20-22-14-8-4-6-10-16(14)24(20)2/h3-12H,1-2H3
InChIKey
DCQMTQROWWTYEM-UHFFFAOYSA-N
Compound name
1-methyl-2-[5-(1-methylbenzimidazol-2-yl)furan-2-yl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

328.13242 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 174.0
[M+Na]+ 351.12164 192.2
[M+NH4]+ 346.16624 182.6
[M+K]+ 367.09558 189.7
[M-H]- 327.12514 180.7
[M+Na-2H]- 349.10709 183.0
[M]+ 328.13187 178.9
[M]- 328.13297 178.9
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

patents stripe