CID 469095

(4e)-5-(2-chloroethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxyimino-pyrimidin-2-one

Structural Information

Molecular Formula
C11H16ClN3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)NO)CCCl)CO)O
InChI
InChI=1S/C11H16ClN3O5/c12-2-1-6-4-15(11(18)13-10(6)14-19)9-3-7(17)8(5-16)20-9/h4,7-9,16-17,19H,1-3,5H2,(H,13,14,18)/t7-,8+,9+/m0/s1
InChIKey
OUKJMVJELSVZDW-DJLDLDEBSA-N
Compound name
5-(2-chloroethyl)-4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.07785 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08513 165.4
[M+Na]+ 328.06707 173.8
[M-H]- 304.07057 166.8
[M+NH4]+ 323.11167 177.0
[M+K]+ 344.04101 169.9
[M+H-H2O]+ 288.07511 158.5
[M+HCOO]- 350.07605 178.0
[M+CH3COO]- 364.09170 196.9
[M+Na-2H]- 326.05252 166.5
[M]+ 305.07730 167.1
[M]- 305.07840 167.1
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.