CID 135449518

Ulodesine

Structural Information

Molecular Formula
C12H16N4O3
SMILES
C1[C@@H]([C@H](CN1CC2=CNC3=C2N=CNC3=O)O)CO
InChI
InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1
InChIKey
AFNHHLILYQEHKK-BDAKNGLRSA-N
Compound name
7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

341
Patents

264.12225 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 159.3
[M+Na]+ 287.11147 168.6
[M-H]- 263.11497 157.8
[M+NH4]+ 282.15607 172.7
[M+K]+ 303.08541 162.6
[M+H-H2O]+ 247.11951 151.6
[M+HCOO]- 309.12045 173.7
[M+CH3COO]- 323.13610 169.2
[M+Na-2H]- 285.09692 160.0
[M]+ 264.12170 156.7
[M]- 264.12280 156.7
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.