CID 3072156

141079-02-9

Structural Information

Molecular Formula
C23H20FN3O
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=C(C=C3)F)COC4=CC=C(C=C4)C
InChI
InChI=1S/C23H20FN3O/c1-16-3-11-20(12-4-16)27-22(15-28-21-13-5-17(2)6-14-21)25-26-23(27)18-7-9-19(24)10-8-18/h3-14H,15H2,1-2H3
InChIKey
QAXGDYYCZYWMTD-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15903 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16631 191.3
[M+Na]+ 396.14825 200.8
[M-H]- 372.15175 199.4
[M+NH4]+ 391.19285 200.7
[M+K]+ 412.12219 192.9
[M+H-H2O]+ 356.15629 178.0
[M+HCOO]- 418.15723 210.6
[M+CH3COO]- 432.17288 201.1
[M+Na-2H]- 394.13370 191.7
[M]+ 373.15848 192.5
[M]- 373.15958 192.5
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.