CID 452740

3'-morpholino-dt

Structural Information

Molecular Formula
C14H21N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3CCOCC3
InChI
InChI=1S/C14H21N3O5/c1-9-7-17(14(20)15-13(9)19)12-6-10(11(8-18)22-12)16-2-4-21-5-3-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m0/s1
InChIKey
WQCADOVGVIKORN-QJPTWQEYSA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-morpholin-4-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

311.14813 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15541 172.6
[M+Na]+ 334.13735 179.3
[M-H]- 310.14085 177.0
[M+NH4]+ 329.18195 180.7
[M+K]+ 350.11129 177.0
[M+H-H2O]+ 294.14539 163.5
[M+HCOO]- 356.14633 184.2
[M+CH3COO]- 370.16198 199.1
[M+Na-2H]- 332.12280 171.7
[M]+ 311.14758 169.6
[M]- 311.14868 169.6
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

patents stripe