CID 5274005

5-[(e)-dec-1-enyl]-1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H30N2O4
SMILES
CCCCCCCC/C=C/C1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C19H30N2O4/c1-2-3-4-5-6-7-8-9-10-15-13-21(19(24)20-18(15)23)17-12-11-16(14-22)25-17/h9-10,13,16-17,22H,2-8,11-12,14H2,1H3,(H,20,23,24)/b10-9+/t16-,17+/m0/s1
InChIKey
BLNFAVHGXKCFKP-YXWZHEERSA-N
Compound name
5-[(E)-dec-1-enyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.22055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.22783 186.5
[M+Na]+ 373.20977 192.1
[M-H]- 349.21327 187.7
[M+NH4]+ 368.25437 196.3
[M+K]+ 389.18371 187.0
[M+H-H2O]+ 333.21781 177.9
[M+HCOO]- 395.21875 201.8
[M+CH3COO]- 409.23440 208.3
[M+Na-2H]- 371.19522 184.4
[M]+ 350.22000 188.3
[M]- 350.22110 188.3
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.