CID 6482158

(1r,2r)-1-ethoxy-2-(4-fluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C15H17FN6O2
SMILES
CCO[C@H]([C@](CN1C=NC=N1)(C2=CC=C(C=C2)F)O)N3C=NC=N3
InChI
InChI=1S/C15H17FN6O2/c1-2-24-14(22-11-18-9-20-22)15(23,7-21-10-17-8-19-21)12-3-5-13(16)6-4-12/h3-6,8-11,14,23H,2,7H2,1H3/t14-,15+/m1/s1
InChIKey
SRZZCYPVDFRTHU-CABCVRRESA-N
Compound name
(1R,2R)-1-ethoxy-2-(4-fluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1397 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14698 172.6
[M+Na]+ 355.12892 180.8
[M-H]- 331.13242 173.4
[M+NH4]+ 350.17352 180.4
[M+K]+ 371.10286 176.4
[M+H-H2O]+ 315.13696 160.5
[M+HCOO]- 377.13790 187.9
[M+CH3COO]- 391.15355 181.7
[M+Na-2H]- 353.11437 175.8
[M]+ 332.13915 174.5
[M]- 332.14025 174.5
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.