CID 25147495

1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-l-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O
InChI
InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1
InChIKey
XUSBTLVYPZUOAW-WOPDTQHZSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.1532 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 167.5
[M+Na]+ 318.14242 174.9
[M-H]- 294.14592 171.9
[M+NH4]+ 313.18702 179.7
[M+K]+ 334.11636 171.6
[M+H-H2O]+ 278.15046 159.5
[M+HCOO]- 340.15140 182.2
[M+CH3COO]- 354.16705 195.9
[M+Na-2H]- 316.12787 164.6
[M]+ 295.15265 164.8
[M]- 295.15375 164.8
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

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