CID 91653676

1-[3-(3,5-dimethoxyphenyl)-5-(quinoxalin-6-yl)-4,5-dihydro-1h-pyrazol-1-yl]-2-methylpropan-1-one

Structural Information

Molecular Formula
C23H24N4O3
SMILES
CC(C)C(=O)N1C(CC(=N1)C2=CC(=CC(=C2)OC)OC)C3=CC4=NC=CN=C4C=C3
InChI
InChI=1S/C23H24N4O3/c1-14(2)23(28)27-22(15-5-6-19-21(11-15)25-8-7-24-19)13-20(26-27)16-9-17(29-3)12-18(10-16)30-4/h5-12,14,22H,13H2,1-4H3
InChIKey
FTAWJOCVUBYHEC-UHFFFAOYSA-N
Compound name
1-[5-(3,5-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.18484 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19212 198.6
[M+Na]+ 427.17406 213.4
[M+NH4]+ 422.21866 204.2
[M+K]+ 443.14800 208.5
[M-H]- 403.17756 202.3
[M+Na-2H]- 425.15951 205.6
[M]+ 404.18429 201.8
[M]- 404.18539 201.8
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.