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]+ 405.192116 200.0
[M+Na]+ 427.174058 207.7
[M-H]- 403.177564 205.8
[M+NH4]+ 422.218663 207.7
[M+K]+ 443.147998 202.3
[M+H-H2O]+ 387.182100 188.0
[M+HCOO]- 449.183041 214.7
[M+CH3COO]- 463.198691 208.3
[M+Na-2H]- 425.159506 198.9
[M]+ 404.18429142 203.5
[M]- 404.18538858 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.