CID 3068020

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

Structural Information

Molecular Formula
C21H18N4O2
SMILES
COC1=CC=C(C=C1)NC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4O
InChI
InChI=1S/C21H18N4O2/c1-27-17-13-11-15(12-14-17)22-21-24-23-20(18-9-5-6-10-19(18)26)25(21)16-7-3-2-4-8-16/h2-14,26H,1H3,(H,22,24)
InChIKey
GPDYUOOKMXGFMU-UHFFFAOYSA-N
Compound name
2-[5-(4-methoxyanilino)-4-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14297 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 187.1
[M+Na]+ 381.13219 203.4
[M+NH4]+ 376.17679 194.0
[M+K]+ 397.10613 196.8
[M-H]- 357.13569 194.2
[M+Na-2H]- 379.11764 198.9
[M]+ 358.14242 191.5
[M]- 358.14352 191.5
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.