CID 5271275

N^4-pivaloyl-mmdcyd

Structural Information

Molecular Formula
C17H27N3O5
SMILES
CC(C)(C)C(=O)NC1=NC(=O)N(C=C1COC)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C17H27N3O5/c1-17(2,3)15(23)18-14-11(9-25-4)7-20(16(24)19-14)12-5-10(8-21)13(22)6-12/h7,10,12-13,21-22H,5-6,8-9H2,1-4H3,(H,18,19,23,24)/t10-,12-,13+/m1/s1
InChIKey
CWPFSBZASRLTIF-RTXFEEFZSA-N
Compound name
N-[1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)-2-oxopyrimidin-4-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.19507 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20235 183.9
[M+Na]+ 376.18429 189.8
[M-H]- 352.18779 185.8
[M+NH4]+ 371.22889 194.9
[M+K]+ 392.15823 187.0
[M+H-H2O]+ 336.19233 176.5
[M+HCOO]- 398.19327 199.2
[M+CH3COO]- 412.20892 212.5
[M+Na-2H]- 374.16974 182.5
[M]+ 353.19452 185.0
[M]- 353.19562 185.0
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.