CID 6482162

(1r,2r)-2-(4-chlorophenyl)-1-methoxy-1,3-di(pyrazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C16H17ClN4O2
SMILES
CO[C@H]([C@](CN1C=CC=N1)(C2=CC=C(C=C2)Cl)O)N3C=CC=N3
InChI
InChI=1S/C16H17ClN4O2/c1-23-15(21-11-3-9-19-21)16(22,12-20-10-2-8-18-20)13-4-6-14(17)7-5-13/h2-11,15,22H,12H2,1H3/t15-,16+/m1/s1
InChIKey
RVWDISLNRQNKKK-CVEARBPZSA-N
Compound name
(1R,2R)-2-(4-chlorophenyl)-1-methoxy-1,3-di(pyrazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11128 174.3
[M+Na]+ 355.09322 182.7
[M-H]- 331.09672 178.4
[M+NH4]+ 350.13782 185.8
[M+K]+ 371.06716 177.5
[M+H-H2O]+ 315.10126 163.9
[M+HCOO]- 377.10220 188.3
[M+CH3COO]- 391.11785 184.5
[M+Na-2H]- 353.07867 177.0
[M]+ 332.10345 178.5
[M]- 332.10455 178.5
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.