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 179.4
[M+Na]+ 369.11222 188.2
[M-H]- 345.11572 186.5
[M+NH4]+ 364.15682 188.7
[M+K]+ 385.08616 180.1
[M+H-H2O]+ 329.12026 166.9
[M+HCOO]- 391.12120 199.6
[M+CH3COO]- 405.13685 189.2
[M+Na-2H]- 367.09767 183.0
[M]+ 346.12245 177.1
[M]- 346.12355 177.1
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.