CID 5273077

3h-pyrazolo[4,3-c]quinolin-3-one, 2,5-dihydro-2-(4-methoxyphenyl)-8-methyl-5-d-ribofuranosyl-

Structural Information

Molecular Formula
C23H23N3O6
SMILES
CC1=CC2=C(C=C1)N(C=C3C2=NN(C3=O)C4=CC=C(C=C4)OC)C5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI
InChI=1S/C23H23N3O6/c1-12-3-8-17-15(9-12)19-16(10-25(17)23-21(29)20(28)18(11-27)32-23)22(30)26(24-19)13-4-6-14(31-2)7-5-13/h3-10,18,20-21,23,27-29H,11H2,1-2H3/t18-,20-,21-,23?/m1/s1
InChIKey
JUCOTIWWQAHZSR-OCTHWRMKSA-N
Compound name
5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-methoxyphenyl)-8-methylpyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.1587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.16598 203.4
[M+Na]+ 460.14792 214.0
[M-H]- 436.15142 210.5
[M+NH4]+ 455.19252 211.6
[M+K]+ 476.12186 209.3
[M+H-H2O]+ 420.15596 195.0
[M+HCOO]- 482.15690 216.9
[M+CH3COO]- 496.17255 212.5
[M+Na-2H]- 458.13337 201.0
[M]+ 437.15815 208.9
[M]- 437.15925 208.9
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

No patent data available for this compound.