CID 3007637

107659-63-2

Structural Information

Molecular Formula
C14H17Cl2N3O2
SMILES
CC(C)[C@@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O)O
InChI
InChI=1S/C14H17Cl2N3O2/c1-9(2)13(20)14(21,6-19-8-17-7-18-19)11-4-3-10(15)5-12(11)16/h3-5,7-9,13,20-21H,6H2,1-2H3/t13-,14-/m0/s1
InChIKey
WVTFOPNSTSYIHT-KBPBESRZSA-N
Compound name
(2R,3S)-2-(2,4-dichlorophenyl)-4-methyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.0698 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07708 171.4
[M+Na]+ 352.05902 179.3
[M-H]- 328.06252 171.3
[M+NH4]+ 347.10362 183.1
[M+K]+ 368.03296 173.4
[M+H-H2O]+ 312.06706 163.8
[M+HCOO]- 374.06800 176.6
[M+CH3COO]- 388.08365 201.5
[M+Na-2H]- 350.04447 172.1
[M]+ 329.06925 173.9
[M]- 329.07035 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.