CID 5482818

(2r,3r)-2-(2,4-difluorophenyl)-3-[(2-phenyl-1,3-dioxan-5-yl)phosphanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Structural Information

Molecular Formula
C22H24F2N3O3P
SMILES
C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)PC3COC(OC3)C4=CC=CC=C4
InChI
InChI=1S/C22H24F2N3O3P/c1-15(31-18-10-29-21(30-11-18)16-5-3-2-4-6-16)22(28,12-27-14-25-13-26-27)19-8-7-17(23)9-20(19)24/h2-9,13-15,18,21,28,31H,10-12H2,1H3/t15-,18?,21?,22-,31?/m1/s1
InChIKey
LHCVEJUERGUXKH-DIKGWVOUSA-N
Compound name
(2R,3R)-2-(2,4-difluorophenyl)-3-[(2-phenyl-1,3-dioxan-5-yl)phosphanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.15234 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.15962 209.3
[M+Na]+ 470.14156 212.7
[M-H]- 446.14506 213.2
[M+NH4]+ 465.18616 211.6
[M+K]+ 486.11550 209.4
[M+H-H2O]+ 430.14960 193.4
[M+HCOO]- 492.15054 222.8
[M+CH3COO]- 506.16619 227.7
[M+Na-2H]- 468.12701 204.1
[M]+ 447.15179 205.3
[M]- 447.15289 205.3
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.