CID 13272316

Cyclopentyl 5-(2-amino-4,6-dihydroxy-5-pyrimidinyl)pentanoate

Structural Information

Molecular Formula
C14H21N3O4
SMILES
C1CCC(C1)OC(=O)CCCCC2=C(N=C(NC2=O)N)O
InChI
InChI=1S/C14H21N3O4/c15-14-16-12(19)10(13(20)17-14)7-3-4-8-11(18)21-9-5-1-2-6-9/h9H,1-8H2,(H4,15,16,17,19,20)
InChIKey
ZUCYGEFPUOBQOR-UHFFFAOYSA-N
Compound name
cyclopentyl 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.160476 167.9
[M+Na]+ 318.142418 173.1
[M-H]- 294.145924 168.6
[M+NH4]+ 313.187023 180.2
[M+K]+ 334.116358 169.2
[M+H-H2O]+ 278.150460 159.4
[M+HCOO]- 340.151401 185.0
[M+CH3COO]- 354.167051 198.2
[M+Na-2H]- 316.127866 166.9
[M]+ 295.15265142 165.2
[M]- 295.15374858 165.2
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.