CID 6482164

(1r,2r)-2-(4-chlorophenyl)-3-imidazol-1-yl-1-methoxy-1-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C15H16ClN5O2
SMILES
CO[C@H]([C@](CN1C=CN=C1)(C2=CC=C(C=C2)Cl)O)N3C=NC=N3
InChI
InChI=1S/C15H16ClN5O2/c1-23-14(21-11-18-9-19-21)15(22,8-20-7-6-17-10-20)12-2-4-13(16)5-3-12/h2-7,9-11,14,22H,8H2,1H3/t14-,15+/m1/s1
InChIKey
RQKCQUWDIMBBCG-CABCVRRESA-N
Compound name
(1R,2R)-2-(4-chlorophenyl)-3-imidazol-1-yl-1-methoxy-1-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09924 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10652 173.1
[M+Na]+ 356.08846 181.8
[M-H]- 332.09196 176.1
[M+NH4]+ 351.13306 183.1
[M+K]+ 372.06240 176.7
[M+H-H2O]+ 316.09650 162.0
[M+HCOO]- 378.09744 186.0
[M+CH3COO]- 392.11309 182.9
[M+Na-2H]- 354.07391 176.3
[M]+ 333.09869 177.3
[M]- 333.09979 177.3
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.