CID 44563048

Chembl487065

Structural Information

Molecular Formula
C23H17F2N5
SMILES
CC1=CC(=C(C=C1)N2C=C(N=N2)CN3C4=CC=CC=C4N=C3C5=CC(=CC=C5)F)F
InChI
InChI=1S/C23H17F2N5/c1-15-9-10-21(19(25)11-15)30-14-18(27-28-30)13-29-22-8-3-2-7-20(22)26-23(29)16-5-4-6-17(24)12-16/h2-12,14H,13H2,1H3
InChIKey
FJCMLIWGIFSSHE-UHFFFAOYSA-N
Compound name
1-[[1-(2-fluoro-4-methylphenyl)triazol-4-yl]methyl]-2-(3-fluorophenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.1452 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.15248 196.1
[M+Na]+ 424.13442 208.8
[M-H]- 400.13792 202.7
[M+NH4]+ 419.17902 204.7
[M+K]+ 440.10836 198.7
[M+H-H2O]+ 384.14246 181.8
[M+HCOO]- 446.14340 213.3
[M+CH3COO]- 460.15905 205.5
[M+Na-2H]- 422.11987 195.2
[M]+ 401.14465 197.7
[M]- 401.14575 197.7
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

No patent data available for this compound.