CID 6482168

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

Structural Information

Molecular Formula
C15H15Cl2N5O2
SMILES
CO[C@H]([C@](CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O)N3C=NC=N3
InChI
InChI=1S/C15H15Cl2N5O2/c1-24-14(22-10-19-8-20-22)15(23,7-21-5-4-18-9-21)12-3-2-11(16)6-13(12)17/h2-6,8-10,14,23H,7H2,1H3/t14-,15+/m1/s1
InChIKey
HODSIFKIVATGSH-CABCVRRESA-N
Compound name
(1R,2R)-2-(2,4-dichlorophenyl)-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

367.06027 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.06755 178.9
[M+Na]+ 390.04949 188.6
[M-H]- 366.05299 181.4
[M+NH4]+ 385.09409 188.2
[M+K]+ 406.02343 182.7
[M+H-H2O]+ 350.05753 167.8
[M+HCOO]- 412.05847 186.5
[M+CH3COO]- 426.07412 188.2
[M+Na-2H]- 388.03494 180.5
[M]+ 367.05972 184.3
[M]- 367.06082 184.3
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.