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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18630 196.5
[M+Na]+ 408.16824 214.4
[M+NH4]+ 403.21284 203.8
[M+K]+ 424.14218 206.6
[M-H]- 384.17174 203.9
[M+Na-2H]- 406.15369 208.2
[M]+ 385.17847 201.4
[M]- 385.17957 201.4
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.