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 200.0
[M+Na]+ 427.17406 207.7
[M-H]- 403.17756 205.8
[M+NH4]+ 422.21866 207.7
[M+K]+ 443.14800 202.3
[M+H-H2O]+ 387.18210 188.0
[M+HCOO]- 449.18304 214.7
[M+CH3COO]- 463.19869 208.3
[M+Na-2H]- 425.15951 198.9
[M]+ 404.18429 203.5
[M]- 404.18539 203.5
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.