CID 2740674

Ccg-54396

Structural Information

Molecular Formula
C19H17N3O3
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H17N3O3/c1-12-18(13(2)22(21-12)15-6-4-3-5-7-15)19(23)20-14-8-9-16-17(10-14)25-11-24-16/h3-10H,11H2,1-2H3,(H,20,23)
InChIKey
DFAVBCKCIZSXRT-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

335.12698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.134256 178.3
[M+Na]+ 358.116198 187.0
[M-H]- 334.119704 188.8
[M+NH4]+ 353.160803 190.8
[M+K]+ 374.090138 184.6
[M+H-H2O]+ 318.124240 170.0
[M+HCOO]- 380.125181 198.5
[M+CH3COO]- 394.140831 190.0
[M+Na-2H]- 356.101646 179.8
[M]+ 335.12643142 181.7
[M]- 335.12752858 181.7
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

No patent data available for this compound.