CID 3072148

141078-94-6

Structural Information

Molecular Formula
C22H18FN3O
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=C(C=C3)F)COC4=CC=CC=C4
InChI
InChI=1S/C22H18FN3O/c1-16-7-13-19(14-8-16)26-21(15-27-20-5-3-2-4-6-20)24-25-22(26)17-9-11-18(23)12-10-17/h2-14H,15H2,1H3
InChIKey
VNFBMIMUALUBCT-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1434 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15068 188.7
[M+Na]+ 382.13262 205.9
[M+NH4]+ 377.17722 196.0
[M+K]+ 398.10656 197.8
[M-H]- 358.13612 194.8
[M+Na-2H]- 380.11807 200.6
[M]+ 359.14285 193.1
[M]- 359.14395 193.1
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.