CID 6482153

(1r,2r)-2-(2,4-difluorophenyl)-3-imidazol-1-yl-1-methoxy-1-pyrazol-1-yl-propan-2-ol

Structural Information

Molecular Formula
C16H16F2N4O2
SMILES
CO[C@H]([C@](CN1C=CN=C1)(C2=C(C=C(C=C2)F)F)O)N3C=CC=N3
InChI
InChI=1S/C16H16F2N4O2/c1-24-15(22-7-2-5-20-22)16(23,10-21-8-6-19-11-21)13-4-3-12(17)9-14(13)18/h2-9,11,15,23H,10H2,1H3/t15-,16+/m1/s1
InChIKey
KFIUWNQEQPFNDF-CVEARBPZSA-N
Compound name
(1R,2R)-2-(2,4-difluorophenyl)-3-imidazol-1-yl-1-methoxy-1-pyrazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.12415 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13143 172.2
[M+Na]+ 357.11337 181.1
[M-H]- 333.11687 174.4
[M+NH4]+ 352.15797 183.0
[M+K]+ 373.08731 176.4
[M+H-H2O]+ 317.12141 160.7
[M+HCOO]- 379.12235 189.1
[M+CH3COO]- 393.13800 205.0
[M+Na-2H]- 355.09882 173.9
[M]+ 334.12360 173.1
[M]- 334.12470 173.1
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.