CID 22019234

3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C23H20FN3
SMILES
CC(C)C1=NN=C(N1C2=CC=CC=C2F)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20FN3/c1-16(2)22-25-26-23(27(22)21-11-7-6-10-20(21)24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3
InChIKey
XOGABADGFOGOCV-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

357.16412 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17140 187.1
[M+Na]+ 380.15334 195.6
[M-H]- 356.15684 194.9
[M+NH4]+ 375.19794 196.9
[M+K]+ 396.12728 187.5
[M+H-H2O]+ 340.16138 174.1
[M+HCOO]- 402.16232 205.3
[M+CH3COO]- 416.17797 196.7
[M+Na-2H]- 378.13879 187.3
[M]+ 357.16357 186.0
[M]- 357.16467 186.0
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

patents stripe