CID 3068017

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

Structural Information

Molecular Formula
C20H15FN4O
SMILES
C1=CC=C(C=C1)N2C(=NN=C2NC3=CC=C(C=C3)F)C4=CC=CC=C4O
InChI
InChI=1S/C20H15FN4O/c21-14-10-12-15(13-11-14)22-20-24-23-19(17-8-4-5-9-18(17)26)25(20)16-6-2-1-3-7-16/h1-13,26H,(H,22,24)
InChIKey
CKCYPKXTDPGJJW-UHFFFAOYSA-N
Compound name
2-[5-(4-fluoroanilino)-4-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.123 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13028 182.7
[M+Na]+ 369.11222 198.6
[M+NH4]+ 364.15682 189.5
[M+K]+ 385.08616 191.8
[M-H]- 345.11572 188.7
[M+Na-2H]- 367.09767 194.3
[M]+ 346.12245 186.7
[M]- 346.12355 186.7
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.