CID 3068022

Phenol, 2-(5-((2-(3,4-dimethoxyphenyl)ethyl)amino)-4-phenyl-4h-1,2,4-triazol-2-yl)-

Structural Information

Molecular Formula
C24H24N4O3
SMILES
COC1=C(C=C(C=C1)CCNC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4O)OC
InChI
InChI=1S/C24H24N4O3/c1-30-21-13-12-17(16-22(21)31-2)14-15-25-24-27-26-23(19-10-6-7-11-20(19)29)28(24)18-8-4-3-5-9-18/h3-13,16,29H,14-15H2,1-2H3,(H,25,27)
InChIKey
DHOAYISPXDASBV-UHFFFAOYSA-N
Compound name
2-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.18484 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.192116 200.3
[M+Na]+ 439.174058 207.3
[M-H]- 415.177564 208.5
[M+NH4]+ 434.218663 206.7
[M+K]+ 455.147998 200.6
[M+H-H2O]+ 399.182100 187.7
[M+HCOO]- 461.183041 220.3
[M+CH3COO]- 475.198691 208.8
[M+Na-2H]- 437.159506 201.7
[M]+ 416.18429142 203.1
[M]- 416.18538858 203.1
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.