CID 2053691

1h-pyrazole-4-carboxamide, 1,3-diphenyl-n-(2-hydroxyethyl)-5-methyl-

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCO
InChI
InChI=1S/C19H19N3O2/c1-14-17(19(24)20-12-13-23)18(15-8-4-2-5-9-15)21-22(14)16-10-6-3-7-11-16/h2-11,23H,12-13H2,1H3,(H,20,24)
InChIKey
BAOJPVZUZKJNCI-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

321.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 177.9
[M+Na]+ 344.13696 191.3
[M+NH4]+ 339.18156 184.5
[M+K]+ 360.11090 185.9
[M-H]- 320.14046 182.5
[M+Na-2H]- 342.12241 186.6
[M]+ 321.14719 181.0
[M]- 321.14829 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe