CID 3068015

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

Structural Information

Molecular Formula
C18H20N4O
SMILES
CCN(CC)C1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3O
InChI
InChI=1S/C18H20N4O/c1-3-21(4-2)18-20-19-17(15-12-8-9-13-16(15)23)22(18)14-10-6-5-7-11-14/h5-13,23H,3-4H2,1-2H3
InChIKey
GLHMFFIHPQMXNL-UHFFFAOYSA-N
Compound name
2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 173.3
[M+Na]+ 331.15292 180.9
[M-H]- 307.15642 179.6
[M+NH4]+ 326.19752 185.3
[M+K]+ 347.12686 175.8
[M+H-H2O]+ 291.16096 162.4
[M+HCOO]- 353.16190 194.7
[M+CH3COO]- 367.17755 184.0
[M+Na-2H]- 329.13837 176.3
[M]+ 308.16315 174.8
[M]- 308.16425 174.8
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.