CID 453821

3'-mecarbamate-dt

Structural Information

Molecular Formula
C12H17N3O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)OC
InChI
InChI=1S/C12H17N3O6/c1-6-4-15(11(18)14-10(6)17)9-3-7(8(5-16)21-9)13-12(19)20-2/h4,7-9,16H,3,5H2,1-2H3,(H,13,19)(H,14,17,18)/t7-,8+,9+/m0/s1
InChIKey
RLHOKMJCGDHYQA-DJLDLDEBSA-N
Compound name
methyl N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11172 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11900 164.6
[M+Na]+ 322.10094 172.6
[M-H]- 298.10444 167.7
[M+NH4]+ 317.14554 176.2
[M+K]+ 338.07488 170.9
[M+H-H2O]+ 282.10898 157.0
[M+HCOO]- 344.10992 182.6
[M+CH3COO]- 358.12557 199.1
[M+Na-2H]- 320.08639 165.1
[M]+ 299.11117 165.8
[M]- 299.11227 165.8
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.