CID 3068024

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

Structural Information

Molecular Formula
C19H15N5O
SMILES
C1=CC=C(C=C1)N2C(=NN=C2NC3=CC=CC=N3)C4=CC=CC=C4O
InChI
InChI=1S/C19H15N5O/c25-16-11-5-4-10-15(16)18-22-23-19(21-17-12-6-7-13-20-17)24(18)14-8-2-1-3-9-14/h1-13,25H,(H,20,21,23)
InChIKey
ZFTLUWRCLIXMSI-UHFFFAOYSA-N
Compound name
2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.12766 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13494 178.0
[M+Na]+ 352.11688 194.6
[M+NH4]+ 347.16148 184.9
[M+K]+ 368.09082 188.1
[M-H]- 328.12038 184.6
[M+Na-2H]- 350.10233 190.6
[M]+ 329.12711 182.3
[M]- 329.12821 182.3
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.