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]+ 256.12918 156.9
[M+Na]+ 278.11112 166.1
[M-H]- 254.11462 156.6
[M+NH4]+ 273.15572 170.1
[M+K]+ 294.08506 161.5
[M+H-H2O]+ 238.11916 149.3
[M+HCOO]- 300.12010 172.7
[M+CH3COO]- 314.13575 187.6
[M+Na-2H]- 276.09657 156.9
[M]+ 255.12135 155.1
[M]- 255.12245 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.