CID 512184

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

Structural Information

Molecular Formula
C19H32N2O5
SMILES
CCCCCCCCO[C@@H]1[C@@H](C[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C19H32N2O5/c1-3-4-5-6-7-8-9-26-17-15(10-14(12-22)16(17)23)21-11-13(2)18(24)20-19(21)25/h11,14-17,22-23H,3-10,12H2,1-2H3,(H,20,24,25)/t14-,15-,16-,17-/m1/s1
InChIKey
OISZDKPPKMOUBW-QBPKDAKJSA-N
Compound name
1-[(1R,2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-octoxycyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.2311 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23838 189.1
[M+Na]+ 391.22032 195.2
[M-H]- 367.22382 189.0
[M+NH4]+ 386.26492 199.2
[M+K]+ 407.19426 189.9
[M+H-H2O]+ 351.22836 181.0
[M+HCOO]- 413.22930 203.6
[M+CH3COO]- 427.24495 212.1
[M+Na-2H]- 389.20577 184.8
[M]+ 368.23055 191.4
[M]- 368.23165 191.4
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.