CID 6441877

Cv-arau

Structural Information

Molecular Formula
C11H13ClN2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)/C=C/Cl
InChI
InChI=1S/C11H13ClN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m1/s1
InChIKey
KDLWJEVOPGSPFQ-HQNLTJAPSA-N
Compound name
5-[(E)-2-chloroethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

26
Patents

304.0462 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05348 162.9
[M+Na]+ 327.03542 173.1
[M-H]- 303.03892 163.5
[M+NH4]+ 322.08002 174.4
[M+K]+ 343.00936 167.9
[M+H-H2O]+ 287.04346 157.1
[M+HCOO]- 349.04440 173.5
[M+CH3COO]- 363.06005 191.3
[M+Na-2H]- 325.02087 162.5
[M]+ 304.04565 163.9
[M]- 304.04675 163.9
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

patents stripe