CID 3072160

Brn 5455584

Structural Information

Molecular Formula
C24H22ClN3O
SMILES
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)COC4=CC(=C(C=C4)Cl)C
InChI
InChI=1S/C24H22ClN3O/c1-16-4-8-19(9-5-16)24-27-26-23(28(24)20-10-6-17(2)7-11-20)15-29-21-12-13-22(25)18(3)14-21/h4-14H,15H2,1-3H3
InChIKey
VENINOCWWBMLFO-UHFFFAOYSA-N
Compound name
3-[(4-chloro-3-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.14514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.15242 200.1
[M+Na]+ 426.13436 210.7
[M-H]- 402.13786 209.4
[M+NH4]+ 421.17896 209.5
[M+K]+ 442.10830 201.9
[M+H-H2O]+ 386.14240 187.8
[M+HCOO]- 448.14334 215.4
[M+CH3COO]- 462.15899 209.9
[M+Na-2H]- 424.11981 199.2
[M]+ 403.14459 205.2
[M]- 403.14569 205.2
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.