CID 3072159

141079-05-2

Structural Information

Molecular Formula
C22H20N4O
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=NC=C3)COC4=CC=C(C=C4)C
InChI
InChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)26-21(15-27-20-9-5-17(2)6-10-20)24-25-22(26)18-11-13-23-14-12-18/h3-14H,15H2,1-2H3
InChIKey
XJSCRALNUGHQKA-UHFFFAOYSA-N
Compound name
4-[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 187.6
[M+Na]+ 379.15292 196.6
[M-H]- 355.15642 195.5
[M+NH4]+ 374.19752 196.0
[M+K]+ 395.12686 189.1
[M+H-H2O]+ 339.16096 174.6
[M+HCOO]- 401.16190 206.9
[M+CH3COO]- 415.17755 197.3
[M+Na-2H]- 377.13837 190.0
[M]+ 356.16315 189.4
[M]- 356.16425 189.4
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.