CID 11711790

Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

Structural Information

Molecular Formula
C22H20N4O6
SMILES
CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3
InChIKey
RQNAOIQEGPVYTC-UHFFFAOYSA-N
Compound name
ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

436.13828 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14556 202.2
[M+Na]+ 459.12750 207.5
[M-H]- 435.13100 209.3
[M+NH4]+ 454.17210 208.5
[M+K]+ 475.10144 199.3
[M+H-H2O]+ 419.13554 195.0
[M+HCOO]- 481.13648 219.1
[M+CH3COO]- 495.15213 223.7
[M+Na-2H]- 457.11295 204.3
[M]+ 436.13773 203.2
[M]- 436.13883 203.2
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

patents stripe