CID 512185

1-[(1r,2r,3r,4r)-2-(cyclopenta-2,4-dien-1-ylmethoxy)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C17H22N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H]([C@@H]2OCC3C=CC=C3)O)CO
InChI
InChI=1S/C17H22N2O5/c1-10-7-19(17(23)18-16(10)22)13-6-12(8-20)14(21)15(13)24-9-11-4-2-3-5-11/h2-5,7,11-15,20-21H,6,8-9H2,1H3,(H,18,22,23)/t12-,13-,14-,15-/m1/s1
InChIKey
ZHLNHZMVEADCFN-KBUPBQIOSA-N
Compound name
1-[(1R,2R,3R,4R)-2-(cyclopenta-2,4-dien-1-ylmethoxy)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.15286 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16014 175.5
[M+Na]+ 357.14208 183.5
[M-H]- 333.14558 180.1
[M+NH4]+ 352.18668 188.3
[M+K]+ 373.11602 178.5
[M+H-H2O]+ 317.15012 168.0
[M+HCOO]- 379.15106 193.0
[M+CH3COO]- 393.16671 202.3
[M+Na-2H]- 355.12753 172.0
[M]+ 334.15231 175.5
[M]- 334.15341 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.