CID 11964844

913344-84-0

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CNC(=O)CN1C(=C(C(=N1)C2CC2)OC3=CC=C(C=C3)C#N)C4CC4
InChI
InChI=1S/C19H20N4O2/c1-21-16(24)11-23-18(14-6-7-14)19(17(22-23)13-4-5-13)25-15-8-2-12(10-20)3-9-15/h2-3,8-9,13-14H,4-7,11H2,1H3,(H,21,24)
InChIKey
PQGLAOODCQDRAR-UHFFFAOYSA-N
Compound name
2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

336.15863 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 178.2
[M+Na]+ 359.14785 194.4
[M-H]- 335.15135 188.4
[M+NH4]+ 354.19245 182.9
[M+K]+ 375.12179 183.1
[M+H-H2O]+ 319.15589 169.7
[M+HCOO]- 381.15683 197.2
[M+CH3COO]- 395.17248 187.7
[M+Na-2H]- 357.13330 179.5
[M]+ 336.15808 181.3
[M]- 336.15918 181.3
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