CID 513484

2-(2,4-difluorophenyl)-1-[2-[hydroxy(phenyl)methyl]imidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C21H19F2N5O2
SMILES
C1=CC=C(C=C1)C(C2=NC=CN2CC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)O
InChI
InChI=1S/C21H19F2N5O2/c22-16-6-7-17(18(23)10-16)21(30,12-28-14-24-13-26-28)11-27-9-8-25-20(27)19(29)15-4-2-1-3-5-15/h1-10,13-14,19,29-30H,11-12H2
InChIKey
NZQLUYQIQFQHTP-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-[2-[hydroxy(phenyl)methyl]imidazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1507 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15798 191.5
[M+Na]+ 434.13992 199.6
[M-H]- 410.14342 194.5
[M+NH4]+ 429.18452 196.7
[M+K]+ 450.11386 192.1
[M+H-H2O]+ 394.14796 178.5
[M+HCOO]- 456.14890 204.9
[M+CH3COO]- 470.16455 199.1
[M+Na-2H]- 432.12537 191.7
[M]+ 411.15015 190.6
[M]- 411.15125 190.6
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.