CID 468854

1-((2,6-difluorophenyl)methyl)-4-methyl-2-(2-naphthyl)benzimidazole

Structural Information

Molecular Formula
C25H18F2N2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CC5=C(C=CC=C5F)F
InChI
InChI=1S/C25H18F2N2/c1-16-6-4-11-23-24(16)28-25(19-13-12-17-7-2-3-8-18(17)14-19)29(23)15-20-21(26)9-5-10-22(20)27/h2-14H,15H2,1H3
InChIKey
GECCPXXLPPPVFL-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-4-methyl-2-naphthalen-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

384.1438 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15108 195.3
[M+Na]+ 407.13302 207.4
[M-H]- 383.13652 202.6
[M+NH4]+ 402.17762 208.0
[M+K]+ 423.10696 197.3
[M+H-H2O]+ 367.14106 182.2
[M+HCOO]- 429.14200 213.4
[M+CH3COO]- 443.15765 205.4
[M+Na-2H]- 405.11847 197.1
[M]+ 384.14325 196.1
[M]- 384.14435 196.1
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