CID 3008131

89889-82-7

Structural Information

Molecular Formula
C18H20N4O5
SMILES
CC1=CC=C(C=C1)N2C=NC3=C(C2=O)N(N=C3C)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C18H20N4O5/c1-9-3-5-11(6-4-9)21-8-19-13-10(2)20-22(14(13)17(21)26)18-16(25)15(24)12(7-23)27-18/h3-6,8,12,15-16,18,23-25H,7H2,1-2H3/t12-,15-,16-,18-/m1/s1
InChIKey
JUHFNYVALKHCBU-HALQFCHDSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-6-(4-methylphenyl)pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.14337 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15065 187.5
[M+Na]+ 395.13259 198.8
[M-H]- 371.13609 192.5
[M+NH4]+ 390.17719 196.2
[M+K]+ 411.10653 194.0
[M+H-H2O]+ 355.14063 179.2
[M+HCOO]- 417.14157 201.8
[M+CH3COO]- 431.15722 197.4
[M+Na-2H]- 393.11804 185.2
[M]+ 372.14282 191.3
[M]- 372.14392 191.3
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.