CID 3007934

Db722

Structural Information

Molecular Formula
C20H16N4O
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C3=CC=C(O3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C20H16N4O/c1-2-4-16-15(3-1)23-20(24-16)18-10-9-17(25-18)13-5-7-14(8-6-13)19-21-11-12-22-19/h1-10H,11-12H2,(H,21,22)(H,23,24)
InChIKey
XDFQDDCYYZDDDY-UHFFFAOYSA-N
Compound name
2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

328.13242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 171.5
[M+Na]+ 351.12164 180.9
[M-H]- 327.12514 180.1
[M+NH4]+ 346.16624 183.2
[M+K]+ 367.09558 174.5
[M+H-H2O]+ 311.12968 162.2
[M+HCOO]- 373.13062 189.7
[M+CH3COO]- 387.14627 182.3
[M+Na-2H]- 349.10709 171.6
[M]+ 328.13187 170.9
[M]- 328.13297 170.9
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

patents stripe