CID 513491

2-(2,4-difluorophenyl)-1-[2-(methoxymethyl)benzimidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C20H19F2N5O2
SMILES
COCC1=NC2=CC=CC=C2N1CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C20H19F2N5O2/c1-29-9-19-25-17-4-2-3-5-18(17)27(19)11-20(28,10-26-13-23-12-24-26)15-7-6-14(21)8-16(15)22/h2-8,12-13,28H,9-11H2,1H3
InChIKey
NZSXZZLGXCCEKL-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-[2-(methoxymethyl)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

399.1507 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15798 193.2
[M+Na]+ 422.13992 203.5
[M-H]- 398.14342 195.3
[M+NH4]+ 417.18452 201.3
[M+K]+ 438.11386 196.4
[M+H-H2O]+ 382.14796 180.6
[M+HCOO]- 444.14890 207.7
[M+CH3COO]- 458.16455 201.7
[M+Na-2H]- 420.12537 194.6
[M]+ 399.15015 195.9
[M]- 399.15125 196.0
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.