CID 476791

Schembl9802267

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)12(19)15-10-6-7-17(13(20)16-10)11-5-4-9(8-18)21-11/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,15,16,19,20)/t9-,11+/m0/s1
InChIKey
MGIPTLXHEFCTOC-GXSJLCMTSA-N
Compound name
N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

295.1532 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 168.8
[M+Na]+ 318.14242 175.1
[M-H]- 294.14592 172.5
[M+NH4]+ 313.18702 181.1
[M+K]+ 334.11636 173.7
[M+H-H2O]+ 278.15046 161.2
[M+HCOO]- 340.15140 185.6
[M+CH3COO]- 354.16705 201.0
[M+Na-2H]- 316.12787 171.0
[M]+ 295.15265 169.1
[M]- 295.15375 169.1
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

patents stripe