CID 3072158

Brn 5453836

Structural Information

Molecular Formula
C22H20N4O
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=CN=CC=C3)COC4=CC=C(C=C4)C
InChI
InChI=1S/C22H20N4O/c1-16-5-9-19(10-6-16)26-21(15-27-20-11-7-17(2)8-12-20)24-25-22(26)18-4-3-13-23-14-18/h3-14H,15H2,1-2H3
InChIKey
HKIVMZBMLHDJPU-UHFFFAOYSA-N
Compound name
3-[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 187.8
[M+Na]+ 379.15292 206.0
[M+NH4]+ 374.19752 195.2
[M+K]+ 395.12686 198.2
[M-H]- 355.15642 194.7
[M+Na-2H]- 377.13837 200.3
[M]+ 356.16315 192.6
[M]- 356.16425 192.6
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.