CID 383946

Nsc672910

Structural Information

Molecular Formula
C16H19N3O11
SMILES
CC(=O)O[C@@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)N2C=NC(=C2C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C16H19N3O11/c1-7(20)28-10-5-27-15(13(30-9(3)22)12(10)29-8(2)21)18-6-17-14(19(24)25)11(18)16(23)26-4/h6,10,12-13,15H,5H2,1-4H3/t10-,12-,13+,15+/m1/s1
InChIKey
OZUURPZOWPXHGE-PBOSXPJTSA-N
Compound name
methyl 5-nitro-3-[(2S,3S,4R,5R)-3,4,5-triacetyloxyoxan-2-yl]imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.10196 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.10924 187.4
[M+Na]+ 452.09118 190.9
[M-H]- 428.09468 192.5
[M+NH4]+ 447.13578 193.4
[M+K]+ 468.06512 189.9
[M+H-H2O]+ 412.09922 184.0
[M+HCOO]- 474.10016 203.4
[M+CH3COO]- 488.11581 218.8
[M+Na-2H]- 450.07663 187.3
[M]+ 429.10141 192.5
[M]- 429.10251 192.6
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.