CID 44435504

Chembl437182

Structural Information

Molecular Formula
C22H20N2O2
SMILES
CC1=CC(=CC(=C1OC)C)C2=CC=C(O2)/C=C/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H20N2O2/c1-14-12-16(13-15(2)22(14)25-3)20-10-8-17(26-20)9-11-21-23-18-6-4-5-7-19(18)24-21/h4-13H,1-3H3,(H,23,24)/b11-9+
InChIKey
MHUKPFMTIKTTAJ-PKNBQFBNSA-N
Compound name
2-[(E)-2-[5-(4-methoxy-3,5-dimethylphenyl)furan-2-yl]ethenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.15247 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15975 183.5
[M+Na]+ 367.14169 194.6
[M-H]- 343.14519 192.6
[M+NH4]+ 362.18629 197.3
[M+K]+ 383.11563 188.3
[M+H-H2O]+ 327.14973 175.1
[M+HCOO]- 389.15067 204.8
[M+CH3COO]- 403.16632 195.3
[M+Na-2H]- 365.12714 184.0
[M]+ 344.15192 188.4
[M]- 344.15302 188.4
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.