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 200.7
[M+Na]+ 426.13436 220.3
[M+NH4]+ 421.17896 208.9
[M+K]+ 442.10830 211.0
[M-H]- 402.13786 208.6
[M+Na-2H]- 424.11981 212.5
[M]+ 403.14459 206.5
[M]- 403.14569 206.5
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.