CID 323997

1523-45-1

Structural Information

Molecular Formula
C21H20N2O2
SMILES
CCCCC1C(=O)N2C=C(C3=CC=CC=C3N2C1=O)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2O2/c1-2-3-11-17-20(24)22-14-18(15-9-5-4-6-10-15)16-12-7-8-13-19(16)23(22)21(17)25/h4-10,12-14,17H,2-3,11H2,1H3
InChIKey
ZJJCMTPBBMBVPA-UHFFFAOYSA-N
Compound name
2-butyl-6-phenylpyrazolo[1,2-a]cinnoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.15247 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15975 181.2
[M+Na]+ 355.14169 190.1
[M-H]- 331.14519 187.0
[M+NH4]+ 350.18629 196.2
[M+K]+ 371.11563 183.3
[M+H-H2O]+ 315.14973 171.6
[M+HCOO]- 377.15067 198.5
[M+CH3COO]- 391.16632 191.6
[M+Na-2H]- 353.12714 182.7
[M]+ 332.15192 182.2
[M]- 332.15302 182.2
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.