CID 3008135

89889-86-1

Structural Information

Molecular Formula
C19H22N4O5
SMILES
CC1=NN(C2=C1N=CN(C2=O)CCC3=CC=CC=C3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C19H22N4O5/c1-11-14-15(23(21-11)19-17(26)16(25)13(9-24)28-19)18(27)22(10-20-14)8-7-12-5-3-2-4-6-12/h2-6,10,13,16-17,19,24-26H,7-9H2,1H3/t13-,16-,17-,19-/m1/s1
InChIKey
MUEKFESYJLYQJY-VVHMCBODSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-6-(2-phenylethyl)pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.15903 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16631 190.6
[M+Na]+ 409.14825 200.5
[M-H]- 385.15175 195.0
[M+NH4]+ 404.19285 198.4
[M+K]+ 425.12219 195.6
[M+H-H2O]+ 369.15629 181.7
[M+HCOO]- 431.15723 204.5
[M+CH3COO]- 445.17288 199.7
[M+Na-2H]- 407.13370 188.5
[M]+ 386.15848 194.2
[M]- 386.15958 194.2
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.