CID 6482150

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

Structural Information

Molecular Formula
C15H16FN5O2
SMILES
CO[C@H]([C@](CN1C=NC=N1)(C2=CC=C(C=C2)F)O)N3C=CC=N3
InChI
InChI=1S/C15H16FN5O2/c1-23-14(21-8-2-7-18-21)15(22,9-20-11-17-10-19-20)12-3-5-13(16)6-4-12/h2-8,10-11,14,22H,9H2,1H3/t14-,15+/m1/s1
InChIKey
CJWMNXQAMDHFAX-CABCVRRESA-N
Compound name
(1R,2R)-2-(4-fluorophenyl)-1-methoxy-1-pyrazol-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

317.1288 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13608 168.9
[M+Na]+ 340.11802 177.2
[M-H]- 316.12152 170.9
[M+NH4]+ 335.16262 178.8
[M+K]+ 356.09196 173.0
[M+H-H2O]+ 300.12606 157.5
[M+HCOO]- 362.12700 185.7
[M+CH3COO]- 376.14265 178.8
[M+Na-2H]- 338.10347 172.3
[M]+ 317.12825 170.5
[M]- 317.12935 170.5
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.