CID 3068022

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

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]+ 417.19212 200.3
[M+Na]+ 439.17406 207.3
[M-H]- 415.17756 208.5
[M+NH4]+ 434.21866 206.7
[M+K]+ 455.14800 200.6
[M+H-H2O]+ 399.18210 187.7
[M+HCOO]- 461.18304 220.3
[M+CH3COO]- 475.19869 208.8
[M+Na-2H]- 437.15951 201.7
[M]+ 416.18429 203.1
[M]- 416.18539 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.