CID 158697

Vigilex

Structural Information

Molecular Formula
C15H19Cl2N3O
SMILES
CC(C)(C)[C@H]([C@@H](CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
InChI
InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3/t13-,14+/m1/s1
InChIKey
URDNHJIVMYZFRT-KGLIPLIRSA-N
Compound name
(2R,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

14319
Patents

327.0905 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09778 175.1
[M+Na]+ 350.07972 188.0
[M+NH4]+ 345.12432 181.6
[M+K]+ 366.05366 183.5
[M-H]- 326.08322 175.6
[M+Na-2H]- 348.06517 180.9
[M]+ 327.08995 177.6
[M]- 327.09105 177.6
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

patents stripe