CID 23635387

503615-07-4

Structural Information

Molecular Formula
C22H22N4O4
SMILES
CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)N)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H22N4O4/c1-3-30-22(28)19-18-12-13-25(15-6-4-14(23)5-7-15)21(27)20(18)26(24-19)16-8-10-17(29-2)11-9-16/h4-11H,3,12-13,23H2,1-2H3
InChIKey
UVAQGQOGOJLALA-UHFFFAOYSA-N
Compound name
ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

406.1641 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17138 198.2
[M+Na]+ 429.15332 211.2
[M+NH4]+ 424.19792 203.3
[M+K]+ 445.12726 206.9
[M-H]- 405.15682 202.1
[M+Na-2H]- 427.13877 203.8
[M]+ 406.16355 200.9
[M]- 406.16465 200.9
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