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]+ 276.17068 166.8
[M+Na]+ 298.15262 172.2
[M-H]- 274.15612 166.8
[M+NH4]+ 293.19722 178.9
[M+K]+ 314.12656 168.8
[M+H-H2O]+ 258.16066 158.6
[M+HCOO]- 320.16160 180.7
[M+CH3COO]- 334.17725 193.7
[M+Na-2H]- 296.13807 171.5
[M]+ 275.16285 165.9
[M]- 275.16395 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.