CID 3068016

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

Structural Information

Molecular Formula
C17H18N4O
SMILES
CC(C)NC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3O
InChI
InChI=1S/C17H18N4O/c1-12(2)18-17-20-19-16(14-10-6-7-11-15(14)22)21(17)13-8-4-3-5-9-13/h3-12,22H,1-2H3,(H,18,20)
InChIKey
VNFSZTZTTZJGAX-UHFFFAOYSA-N
Compound name
2-[4-phenyl-5-(propan-2-ylamino)-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 170.1
[M+Na]+ 317.13729 184.1
[M+NH4]+ 312.18189 177.0
[M+K]+ 333.11123 179.1
[M-H]- 293.14079 174.7
[M+Na-2H]- 315.12274 179.5
[M]+ 294.14752 173.3
[M]- 294.14862 173.3
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.