CID 3007696

107680-14-8

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CC(C)[C@@](C)([C@](CN1C=NC=N1)(C2=CC=CC=C2)O)O
InChI
InChI=1S/C15H21N3O2/c1-12(2)14(3,19)15(20,9-18-11-16-10-17-18)13-7-5-4-6-8-13/h4-8,10-12,19-20H,9H2,1-3H3/t14-,15-/m0/s1
InChIKey
VNTGMFGJTXXJQY-GJZGRUSLSA-N
Compound name
(2R,3S)-3,4-dimethyl-2-phenyl-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

275.1634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 166.8
[M+Na]+ 298.152618 172.2
[M-H]- 274.156124 166.8
[M+NH4]+ 293.197223 178.9
[M+K]+ 314.126558 168.8
[M+H-H2O]+ 258.160660 158.6
[M+HCOO]- 320.161601 180.7
[M+CH3COO]- 334.177251 193.7
[M+Na-2H]- 296.138066 171.5
[M]+ 275.16285142 165.9
[M]- 275.16394858 165.9
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.