CID 6482165

(1r,2r)-2-(2,4-difluorophenyl)-3-imidazol-1-yl-1-methoxy-1-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C15H15F2N5O2
SMILES
CO[C@H]([C@](CN1C=CN=C1)(C2=C(C=C(C=C2)F)F)O)N3C=NC=N3
InChI
InChI=1S/C15H15F2N5O2/c1-24-14(22-10-19-8-20-22)15(23,7-21-5-4-18-9-21)12-3-2-11(16)6-13(12)17/h2-6,8-10,14,23H,7H2,1H3/t14-,15+/m1/s1
InChIKey
SMHGAPDMVKVWRC-CABCVRRESA-N
Compound name
(1R,2R)-2-(2,4-difluorophenyl)-3-imidazol-1-yl-1-methoxy-1-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1194 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12668 171.6
[M+Na]+ 358.10862 180.8
[M-H]- 334.11212 172.7
[M+NH4]+ 353.15322 181.0
[M+K]+ 374.08256 176.1
[M+H-H2O]+ 318.11666 159.5
[M+HCOO]- 380.11760 187.3
[M+CH3COO]- 394.13325 205.0
[M+Na-2H]- 356.09407 173.6
[M]+ 335.11885 172.6
[M]- 335.11995 172.6
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

No patent data available for this compound.