CID 3072145

141078-91-3

Structural Information

Molecular Formula
C23H21N3O
SMILES
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)COC4=CC=CC=C4
InChI
InChI=1S/C23H21N3O/c1-17-8-12-19(13-9-17)23-25-24-22(16-27-21-6-4-3-5-7-21)26(23)20-14-10-18(2)11-15-20/h3-15H,16H2,1-2H3
InChIKey
COUDQTUIYPPCAD-UHFFFAOYSA-N
Compound name
3,4-bis(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.16846 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17574 187.6
[M+Na]+ 378.15768 196.2
[M-H]- 354.16118 196.7
[M+NH4]+ 373.20228 197.5
[M+K]+ 394.13162 188.8
[M+H-H2O]+ 338.16572 175.2
[M+HCOO]- 400.16666 208.1
[M+CH3COO]- 414.18231 197.7
[M+Na-2H]- 376.14313 189.5
[M]+ 355.16791 189.3
[M]- 355.16901 189.3
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.