CID 513489

1-[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]benzimidazol-2-yl]propan-2-one

Structural Information

Molecular Formula
C21H19F2N5O2
SMILES
CC(=O)CC1=NC2=CC=CC=C2N1CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C21H19F2N5O2/c1-14(29)8-20-26-18-4-2-3-5-19(18)28(20)11-21(30,10-27-13-24-12-25-27)16-7-6-15(22)9-17(16)23/h2-7,9,12-13,30H,8,10-11H2,1H3
InChIKey
RXYFTJRSCHFNRC-UHFFFAOYSA-N
Compound name
1-[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]benzimidazol-2-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1507 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15798 196.6
[M+Na]+ 434.13992 206.5
[M-H]- 410.14342 198.8
[M+NH4]+ 429.18452 204.1
[M+K]+ 450.11386 199.1
[M+H-H2O]+ 394.14796 184.3
[M+HCOO]- 456.14890 210.1
[M+CH3COO]- 470.16455 204.8
[M+Na-2H]- 432.12537 196.6
[M]+ 411.15015 198.5
[M]- 411.15125 198.5
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.