CID 479300

Chembl2373306

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC1=CN(C(=O)NC1=O)N2CC[C@@H]([C@H]2CO)CO
InChI
InChI=1S/C11H17N3O4/c1-7-4-14(11(18)12-10(7)17)13-3-2-8(5-15)9(13)6-16/h4,8-9,15-16H,2-3,5-6H2,1H3,(H,12,17,18)/t8-,9-/m1/s1
InChIKey
KUGOJBUZIKZWIP-RKDXNWHRSA-N
Compound name
1-[(2S,3S)-2,3-bis(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.1219 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 156.9
[M+Na]+ 278.111118 166.1
[M-H]- 254.114624 156.6
[M+NH4]+ 273.155723 170.1
[M+K]+ 294.085058 161.5
[M+H-H2O]+ 238.119160 149.3
[M+HCOO]- 300.120101 172.7
[M+CH3COO]- 314.135751 187.6
[M+Na-2H]- 276.096566 156.9
[M]+ 255.12135142 155.1
[M]- 255.12244858 155.1
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

No patent data available for this compound.