CID 73316

04-methyl-dt

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CC1=CN(C(=O)NC1OC)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H18N2O5/c1-6-4-13(11(16)12-10(6)17-2)9-3-7(15)8(5-14)18-9/h4,7-10,14-15H,3,5H2,1-2H3,(H,12,16)/t7-,8+,9+,10?/m0/s1
InChIKey
UWJHNTGDBVTLFO-UWOKOIHUSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-5-methyl-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.12158 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 158.5
[M+Na]+ 281.11080 165.4
[M-H]- 257.11430 159.4
[M+NH4]+ 276.15540 171.4
[M+K]+ 297.08474 163.4
[M+H-H2O]+ 241.11884 151.7
[M+HCOO]- 303.11978 171.9
[M+CH3COO]- 317.13543 188.5
[M+Na-2H]- 279.09625 157.7
[M]+ 258.12103 156.2
[M]- 258.12213 156.2
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.