CID 6482151

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

Structural Information

Molecular Formula
C16H17FN4O2
SMILES
CO[C@H]([C@](CN1C=CN=C1)(C2=CC=C(C=C2)F)O)N3C=CC=N3
InChI
InChI=1S/C16H17FN4O2/c1-23-15(21-9-2-7-19-21)16(22,11-20-10-8-18-12-20)13-3-5-14(17)6-4-13/h2-10,12,15,22H,11H2,1H3/t15-,16+/m1/s1
InChIKey
HPGLDFQMKCGREA-CVEARBPZSA-N
Compound name
(1R,2R)-2-(4-fluorophenyl)-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

316.13354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14082 169.6
[M+Na]+ 339.12276 177.6
[M-H]- 315.12626 172.7
[M+NH4]+ 334.16736 180.9
[M+K]+ 355.09670 173.4
[M+H-H2O]+ 299.13080 158.7
[M+HCOO]- 361.13174 187.5
[M+CH3COO]- 375.14739 201.2
[M+Na-2H]- 337.10821 172.5
[M]+ 316.13299 171.1
[M]- 316.13409 171.1
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.