CID 44563047

Chembl488254

Structural Information

Molecular Formula
C23H18FN5O
SMILES
COC1=CC=C(C=C1)N2C=C(N=N2)CN3C4=CC=CC=C4N=C3C5=CC(=CC=C5)F
InChI
InChI=1S/C23H18FN5O/c1-30-20-11-9-19(10-12-20)29-15-18(26-27-29)14-28-22-8-3-2-7-21(22)25-23(28)16-5-4-6-17(24)13-16/h2-13,15H,14H2,1H3
InChIKey
UAEDQPBGVVQSQJ-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.14954 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15682 194.9
[M+Na]+ 422.13876 206.3
[M-H]- 398.14226 202.5
[M+NH4]+ 417.18336 203.2
[M+K]+ 438.11270 197.6
[M+H-H2O]+ 382.14680 181.2
[M+HCOO]- 444.14774 213.3
[M+CH3COO]- 458.16339 204.5
[M+Na-2H]- 420.12421 195.5
[M]+ 399.14899 198.2
[M]- 399.15009 198.2
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.