CID 5273076

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

Structural Information

Molecular Formula
C22H21N3O5
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CN(C4=CC=CC=C4C3=N2)C5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI
InChI=1S/C22H21N3O5/c1-12-6-8-13(9-7-12)25-21(29)15-10-24(22-20(28)19(27)17(11-26)30-22)16-5-3-2-4-14(16)18(15)23-25/h2-10,17,19-20,22,26-28H,11H2,1H3/t17-,19-,20-,22?/m1/s1
InChIKey
QFCDZQLZUTXHPA-JJDPIIQBSA-N
Compound name
5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-methylphenyl)pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.14813 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15541 195.8
[M+Na]+ 430.13735 206.5
[M-H]- 406.14085 202.7
[M+NH4]+ 425.18195 205.1
[M+K]+ 446.11129 201.0
[M+H-H2O]+ 390.14539 187.5
[M+HCOO]- 452.14633 209.6
[M+CH3COO]- 466.16198 205.3
[M+Na-2H]- 428.12280 194.3
[M]+ 407.14758 199.3
[M]- 407.14868 199.3
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.