CID 483287

1-[(1r,2r)-2-(2,4-difluoro-phenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl]-3-(4-[1,2,3]triazol-1-ylmethyl-phenyl)-1,3-dihydro-imidazol-2-one

Structural Information

Molecular Formula
C24H22F2N8O2
SMILES
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=CN(C3=O)C4=CC=C(C=C4)CN5C=CN=N5
InChI
InChI=1S/C24H22F2N8O2/c1-17(24(36,14-32-16-27-15-29-32)21-7-4-19(25)12-22(21)26)33-10-11-34(23(33)35)20-5-2-18(3-6-20)13-31-9-8-28-30-31/h2-12,15-17,36H,13-14H2,1H3
InChIKey
YLARIOKAPQQQAA-UHFFFAOYSA-N
Compound name
1-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(triazol-1-ylmethyl)phenyl]imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.18338 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.19066 207.3
[M+Na]+ 515.17260 216.7
[M-H]- 491.17610 213.0
[M+NH4]+ 510.21720 207.8
[M+K]+ 531.14654 208.5
[M+H-H2O]+ 475.18064 193.3
[M+HCOO]- 537.18158 218.9
[M+CH3COO]- 551.19723 213.8
[M+Na-2H]- 513.15805 203.5
[M]+ 492.18283 209.1
[M]- 492.18393 209.1
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.