CID 46936714

Ns00073214

Structural Information

Molecular Formula
C12H18N4O3
SMILES
C1[C@@H]([C@H](CN1CC2=CN[C@@H]3[C@H]2N=CNC3=O)O)CO
InChI
InChI=1S/C12H18N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-11,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+,10+,11-/m1/s1
InChIKey
WFVGWLHAOKEIOJ-VPOLOUISSA-N
Compound name
(4aR,7aS)-7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,4a,5,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13788 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14516 163.6
[M+Na]+ 289.12710 169.9
[M-H]- 265.13060 160.8
[M+NH4]+ 284.17170 176.5
[M+K]+ 305.10104 164.6
[M+H-H2O]+ 249.13514 155.7
[M+HCOO]- 311.13608 173.7
[M+CH3COO]- 325.15173 171.8
[M+Na-2H]- 287.11255 161.3
[M]+ 266.13733 156.8
[M]- 266.13843 156.8
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.