CID 511133

1-allyl-3-[5-(hydroxymethyl)-1-phenyl-pyrazol-3-yl]quinoxalin-2-one

Structural Information

Molecular Formula
C21H18N4O2
SMILES
C=CCN1C2=CC=CC=C2N=C(C1=O)C3=NN(C(=C3)CO)C4=CC=CC=C4
InChI
InChI=1S/C21H18N4O2/c1-2-12-24-19-11-7-6-10-17(19)22-20(21(24)27)18-13-16(14-26)25(23-18)15-8-4-3-5-9-15/h2-11,13,26H,1,12,14H2
InChIKey
QBVABGBSHYABBY-UHFFFAOYSA-N
Compound name
3-[5-(hydroxymethyl)-1-phenylpyrazol-3-yl]-1-prop-2-enylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.14297 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 187.7
[M+Na]+ 381.13219 199.0
[M-H]- 357.13569 193.0
[M+NH4]+ 376.17679 197.0
[M+K]+ 397.10613 190.3
[M+H-H2O]+ 341.14023 176.1
[M+HCOO]- 403.14117 206.3
[M+CH3COO]- 417.15682 197.6
[M+Na-2H]- 379.11764 190.9
[M]+ 358.14242 190.7
[M]- 358.14352 190.7
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.