CID 3072154

141079-00-7

Structural Information

Molecular Formula

C₂₄H₂₃N₃O₂

SMILES

CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=C(C=C3)OC)COC4=CC=C(C=C4)C

InChI

InChI=1S/C24H23N3O2/c1-17-4-10-20(11-5-17)27-23(16-29-22-12-6-18(2)7-13-22)25-26-24(27)19-8-14-21(28-3)15-9-19/h4-15H,16H2,1-3H3

InChIKey

DYLXPNPSPONDCG-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 385.17902 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	386.186296	195.6
[M+Na]+	408.168238	204.4
[M-H]-	384.171744	205.0
[M+NH4]+	403.212843	204.4
[M+K]+	424.142178	197.6
[M+H-H2O]+	368.176280	183.0
[M+HCOO]-	430.177221	215.9
[M+CH3COO]-	444.192871	205.4
[M+Na-2H]-	406.153686	196.2
[M]+	385.17847142	199.4
[M]-	385.17956858	199.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.