CID 5271271

N^4-acethyl-mmdcyd

Structural Information

Molecular Formula
C14H21N3O5
SMILES
CC(=O)NC1=NC(=O)N(C=C1COC)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C14H21N3O5/c1-8(19)15-13-10(7-22-2)5-17(14(21)16-13)11-3-9(6-18)12(20)4-11/h5,9,11-12,18,20H,3-4,6-7H2,1-2H3,(H,15,16,19,21)/t9-,11-,12+/m1/s1
InChIKey
FFSQQAMUNAVBJW-JLLWLGSASA-N
Compound name
N-[1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.14813 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15541 170.1
[M+Na]+ 334.13735 176.9
[M-H]- 310.14085 172.1
[M+NH4]+ 329.18195 182.5
[M+K]+ 350.11129 174.1
[M+H-H2O]+ 294.14539 162.2
[M+HCOO]- 356.14633 188.0
[M+CH3COO]- 370.16198 203.7
[M+Na-2H]- 332.12280 168.9
[M]+ 311.14758 170.7
[M]- 311.14868 170.7
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.