CID 511995

86163-18-0

Structural Information

Molecular Formula
C12H15ClN2O5
SMILES
C=C(CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)Cl
InChI
InChI=1S/C12H15ClN2O5/c1-6(13)2-7-4-15(12(19)14-11(7)18)10-3-8(17)9(5-16)20-10/h4,8-10,16-17H,1-3,5H2,(H,14,18,19)/t8-,9+,10+/m0/s1
InChIKey
NFKIJWPVYOJNMC-IVZWLZJFSA-N
Compound name
5-(2-chloroprop-2-enyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.06696 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07424 164.0
[M+Na]+ 325.05618 173.3
[M-H]- 301.05968 165.5
[M+NH4]+ 320.10078 176.0
[M+K]+ 341.03012 168.5
[M+H-H2O]+ 285.06422 157.8
[M+HCOO]- 347.06516 174.7
[M+CH3COO]- 361.08081 194.2
[M+Na-2H]- 323.04163 162.9
[M]+ 302.06641 164.8
[M]- 302.06751 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.