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 176.0
[M+Na]+ 344.13696 182.9
[M-H]- 320.14046 182.3
[M+NH4]+ 339.18156 188.1
[M+K]+ 360.11090 177.2
[M+H-H2O]+ 304.14500 166.1
[M+HCOO]- 366.14594 197.3
[M+CH3COO]- 380.16159 207.5
[M+Na-2H]- 342.12241 178.1
[M]+ 321.14719 176.1
[M]- 321.14829 176.1
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.