CID 513482

2-(2,4-difluorophenyl)-1-(2-phenylimidazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C20H17F2N5O
SMILES
C1=CC=C(C=C1)C2=NC=CN2CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C20H17F2N5O/c21-16-6-7-17(18(22)10-16)20(28,12-27-14-23-13-25-27)11-26-9-8-24-19(26)15-4-2-1-3-5-15/h1-10,13-14,28H,11-12H2
InChIKey
CMVDSXVCCXLPDX-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(2-phenylimidazol-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

381.1401 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.14738 185.9
[M+Na]+ 404.12932 195.5
[M-H]- 380.13282 190.0
[M+NH4]+ 399.17392 193.2
[M+K]+ 420.10326 187.6
[M+H-H2O]+ 364.13736 172.5
[M+HCOO]- 426.13830 201.7
[M+CH3COO]- 440.15395 194.7
[M+Na-2H]- 402.11477 187.5
[M]+ 381.13955 185.6
[M]- 381.14065 185.6
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.