CID 3072146

141078-92-4

Structural Information

Molecular Formula
C23H21N3O2
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=C(C=C3)OC)COC4=CC=CC=C4
InChI
InChI=1S/C23H21N3O2/c1-17-8-12-19(13-9-17)26-22(16-28-21-6-4-3-5-7-21)24-25-23(26)18-10-14-20(27-2)15-11-18/h3-15H,16H2,1-2H3
InChIKey
JCVSVGTUUAEUQS-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1634 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17068 191.8
[M+Na]+ 394.15262 209.5
[M+NH4]+ 389.19722 199.2
[M+K]+ 410.12656 201.7
[M-H]- 370.15612 199.1
[M+Na-2H]- 392.13807 204.0
[M]+ 371.16285 196.6
[M]- 371.16395 196.6
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.