CID 3007949

6-(4,5-dihydro-1h-imidazol-2-yl)-2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1h-benzimidazole

Structural Information

Molecular Formula
C24H21FN4
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)CCC5=CC=C(C=C5)F
InChI
InChI=1S/C24H21FN4/c25-20-10-5-17(6-11-20)2-1-16-3-7-18(8-4-16)24-28-21-12-9-19(15-22(21)29-24)23-26-13-14-27-23/h3-12,15H,1-2,13-14H2,(H,26,27)(H,28,29)
InChIKey
KAOPRNPLKPOCLU-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.17502 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18230 190.6
[M+Na]+ 407.16424 199.3
[M-H]- 383.16774 196.1
[M+NH4]+ 402.20884 199.5
[M+K]+ 423.13818 188.7
[M+H-H2O]+ 367.17228 178.2
[M+HCOO]- 429.17322 206.0
[M+CH3COO]- 443.18887 198.8
[M+Na-2H]- 405.14969 190.2
[M]+ 384.17447 187.5
[M]- 384.17557 187.5
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.