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

431
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

literature stripe

Patent stripe

patents stripe