CID 3068015

82619-87-2

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]+ 309.170976 173.3
[M+Na]+ 331.152918 180.9
[M-H]- 307.156424 179.6
[M+NH4]+ 326.197523 185.3
[M+K]+ 347.126858 175.8
[M+H-H2O]+ 291.160960 162.4
[M+HCOO]- 353.161901 194.7
[M+CH3COO]- 367.177551 184.0
[M+Na-2H]- 329.138366 176.3
[M]+ 308.16315142 174.8
[M]- 308.16424858 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.