CID 3068019

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

Structural Information

Molecular Formula
C21H18N4O
SMILES
CC1=CC=C(C=C1)NC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4O
InChI
InChI=1S/C21H18N4O/c1-15-11-13-16(14-12-15)22-21-24-23-20(18-9-5-6-10-19(18)26)25(21)17-7-3-2-4-8-17/h2-14,26H,1H3,(H,22,24)
InChIKey
JXHBMNUNLPAEMB-UHFFFAOYSA-N
Compound name
2-[5-(4-methylanilino)-4-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14807 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 183.8
[M+Na]+ 365.13729 200.6
[M+NH4]+ 360.18189 191.3
[M+K]+ 381.11123 193.5
[M-H]- 341.14079 191.4
[M+Na-2H]- 363.12274 196.1
[M]+ 342.14752 188.5
[M]- 342.14862 188.5
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.