CID 5271272

N^4-propanoyl-mmdcyd

Structural Information

Molecular Formula
C15H23N3O5
SMILES
CCC(=O)NC1=NC(=O)N(C=C1COC)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C15H23N3O5/c1-3-13(21)16-14-10(8-23-2)6-18(15(22)17-14)11-4-9(7-19)12(20)5-11/h6,9,11-12,19-20H,3-5,7-8H2,1-2H3,(H,16,17,21,22)/t9-,11-,12+/m1/s1
InChIKey
FEAHULHVIYHXCF-JLLWLGSASA-N
Compound name
N-[1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)-2-oxopyrimidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16376 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17104 174.5
[M+Na]+ 348.15298 180.9
[M-H]- 324.15648 176.3
[M+NH4]+ 343.19758 186.3
[M+K]+ 364.12692 177.8
[M+H-H2O]+ 308.16102 166.4
[M+HCOO]- 370.16196 192.1
[M+CH3COO]- 384.17761 206.7
[M+Na-2H]- 346.13843 172.8
[M]+ 325.16321 175.5
[M]- 325.16431 175.5
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.