CID 513494

1h-benzimidazole-1-ethanol, alpha-(2,4-difluorophenyl)-2-(4-methylphenyl)-alpha-(1h-1,2,4-triazol-1-ylmethyl)-

Structural Information

Molecular Formula
C25H21F2N5O
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC(CN4C=NC=N4)(C5=C(C=C(C=C5)F)F)O
InChI
InChI=1S/C25H21F2N5O/c1-17-6-8-18(9-7-17)24-30-22-4-2-3-5-23(22)32(24)14-25(33,13-31-16-28-15-29-31)20-11-10-19(26)12-21(20)27/h2-12,15-16,33H,13-14H2,1H3
InChIKey
MPTJXTMGHUDOAR-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.17142 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17870 207.3
[M+Na]+ 468.16064 217.7
[M-H]- 444.16414 212.6
[M+NH4]+ 463.20524 213.2
[M+K]+ 484.13458 208.1
[M+H-H2O]+ 428.16868 193.5
[M+HCOO]- 490.16962 220.9
[M+CH3COO]- 504.18527 215.0
[M+Na-2H]- 466.14609 207.2
[M]+ 445.17087 208.2
[M]- 445.17197 208.2
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.