CID 469715

Imidine

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC(=O)C1=CN(C(=O)N1)[C@H]2CC([C@H](O2)CO)O
InChI
InChI=1S/C10H14N2O5/c1-5(14)6-3-12(10(16)11-6)9-2-7(15)8(4-13)17-9/h3,7-9,13,15H,2,4H2,1H3,(H,11,16)/t7?,8-,9-/m1/s1
InChIKey
OHDMIERTIPXMBO-CFCGPWAMSA-N
Compound name
5-acetyl-3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

242.09027 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 151.2
[M+Na]+ 265.07949 159.2
[M-H]- 241.08299 152.9
[M+NH4]+ 260.12409 166.3
[M+K]+ 281.05343 157.4
[M+H-H2O]+ 225.08753 145.3
[M+HCOO]- 287.08847 167.7
[M+CH3COO]- 301.10412 183.9
[M+Na-2H]- 263.06494 150.0
[M]+ 242.08972 150.3
[M]- 242.09082 150.3
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.