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]+ 372.170676 190.6
[M+Na]+ 394.152618 198.9
[M-H]- 370.156124 199.7
[M+NH4]+ 389.197223 199.7
[M+K]+ 410.126558 192.3
[M+H-H2O]+ 354.160660 178.0
[M+HCOO]- 416.161601 211.2
[M+CH3COO]- 430.177251 200.5
[M+Na-2H]- 392.138066 192.5
[M]+ 371.16285142 193.6
[M]- 371.16394858 193.6
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.