CID 3008132

89889-83-8

Structural Information

Molecular Formula
C18H20N4O5
SMILES
CC1=NN(C2=C1N=CN(C2=O)CC3=CC=CC=C3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C18H20N4O5/c1-10-13-14(22(20-10)18-16(25)15(24)12(8-23)27-18)17(26)21(9-19-13)7-11-5-3-2-4-6-11/h2-6,9,12,15-16,18,23-25H,7-8H2,1H3/t12-,15-,16-,18-/m1/s1
InChIKey
RTNHDZWSDWYQQR-HALQFCHDSA-N
Compound name
6-benzyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[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 186.3
[M+Na]+ 395.13259 196.7
[M-H]- 371.13609 190.9
[M+NH4]+ 390.17719 194.7
[M+K]+ 411.10653 191.9
[M+H-H2O]+ 355.14063 177.6
[M+HCOO]- 417.14157 200.6
[M+CH3COO]- 431.15722 195.9
[M+Na-2H]- 393.11804 184.7
[M]+ 372.14282 189.6
[M]- 372.14392 189.6
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.