CID 165898114

En300-28229633

Structural Information

Molecular Formula
C14H21N3O7
SMILES
CC(C)(C)OC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C14H21N3O7/c1-14(2,3)24-13(22)16-8-4-5-17(12(21)15-8)11-10(20)9(19)7(6-18)23-11/h4-5,7,9-11,18-20H,6H2,1-3H3,(H,15,16,21,22)/t7-,9-,10-,11-/m1/s1
InChIKey
IXLNPDPGAVWFQH-QCNRFFRDSA-N
Compound name
tert-butyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13794 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14522 177.0
[M+Na]+ 366.12716 183.4
[M-H]- 342.13066 178.7
[M+NH4]+ 361.17176 186.1
[M+K]+ 382.10110 182.6
[M+H-H2O]+ 326.13520 169.9
[M+HCOO]- 388.13614 191.2
[M+CH3COO]- 402.15179 205.9
[M+Na-2H]- 364.11261 177.7
[M]+ 343.13739 178.6
[M]- 343.13849 178.6
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

No patent data available for this compound.