CID 393259

Nsc694909

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](N(O2)CCO)C=C(C)C
InChI
InChI=1S/C14H21N3O4/c1-9(2)6-11-7-12(21-17(11)4-5-18)16-8-10(3)13(19)15-14(16)20/h6,8,11-12,18H,4-5,7H2,1-3H3,(H,15,19,20)/t11-,12-/m1/s1
InChIKey
PUQNTPXZYFLCFE-VXGBXAGGSA-N
Compound name
1-[(3S,5R)-2-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 169.4
[M+Na]+ 318.14242 177.9
[M-H]- 294.14592 170.7
[M+NH4]+ 313.18702 180.3
[M+K]+ 334.11636 174.2
[M+H-H2O]+ 278.15046 161.4
[M+HCOO]- 340.15140 184.0
[M+CH3COO]- 354.16705 198.6
[M+Na-2H]- 316.12787 167.7
[M]+ 295.15265 169.7
[M]- 295.15375 169.7
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.