CID 3007687

107680-05-7

Structural Information

Molecular Formula
C15H19Cl2N3O2
SMILES
CC(C)[C@@](C)([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O)O
InChI
InChI=1S/C15H19Cl2N3O2/c1-10(2)14(3,21)15(22,7-20-9-18-8-19-20)12-5-4-11(16)6-13(12)17/h4-6,8-10,21-22H,7H2,1-3H3/t14-,15-/m0/s1
InChIKey
JOWCZFAKWLYOKW-GJZGRUSLSA-N
Compound name
(2R,3S)-2-(2,4-dichlorophenyl)-3,4-dimethyl-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

343.08542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09270 177.7
[M+Na]+ 366.07464 185.7
[M-H]- 342.07814 177.7
[M+NH4]+ 361.11924 188.9
[M+K]+ 382.04858 179.6
[M+H-H2O]+ 326.08268 170.2
[M+HCOO]- 388.08362 181.8
[M+CH3COO]- 402.09927 204.1
[M+Na-2H]- 364.06009 179.8
[M]+ 343.08487 180.4
[M]- 343.08597 180.4
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.